lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)nc2C)cn1
InChIKey: YANKGDXYBDQGAP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 431.4, ALogP 4.58, HBA 7, HBD 1, PSA 73.45, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2C#N)cn1
InChIKey: KOSXCVWYEAFBIP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 441.39, ALogP 4.75, HBA 7, HBD 1, PSA 84.35, QED 0.46
Compound (SMILES): COc1c(-n2cnc(C)c2)ccc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)c1F
InChIKey: XUSNWPKNOZVCDU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)cn1
InChIKey: JNUQAYABTZKTEL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 500.38, ALogP 5.78, HBA 7, HBD 1, PSA 69.79, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)cc(F)c1-n1cnc(C)c1
InChIKey: IJVGZSADNSFGIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): CCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: YKBWQDBCBORIMB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 460.44, ALogP 5.37, HBA 7, HBD 1, PSA 69.79, QED 0.39
Compound (SMILES): COCCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: KEUUFBMIEKZMNE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 490.46, ALogP 5, HBA 8, HBD 1, PSA 79.02, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CCC#N)n2)ccc1-n1cnc(C)c1
InChIKey: UEHYTRXEDKGHOC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 485.45, ALogP 5.26, HBA 8, HBD 1, PSA 93.58, QED 0.36
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1cnc(C)c1
InChIKey: ICIJXEDXCAIRIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 504.49, ALogP 5.12, HBA 8, HBD 2, PSA 90.02, QED 0.34
Compound (SMILES): COc1cc(-c2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RXIJGUKVYXFOPW-HOTGVXAUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 434.47, ALogP 4.52, HBA 7, HBD 1, PSA 69.79, QED 0.64
Compound (SMILES): COc1cc(-c2nc(N3CCCC(C(F)(F)F)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1
InChIKey: XNKHIBYSODZCIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 448.49, ALogP 4.81, HBA 7, HBD 0, PSA 61, QED 0.56
Compound (SMILES): CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)O
InChIKey: VWVKWGUXIOOQGM-QCCYXRBGSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q04631
Assay: Inhibition of farnesyl transferase (FTase) of rat brain
Measurement: IC50 = 50000 nM (pChEMBL 4.300000190734863)
Descriptors: MW 638.86, ALogP 0.27, HBA 9, HBD 7, PSA 196.95, QED 0.09
Compound (SMILES): COc1cc(-c2nc(C3(c4ccc(F)cc4)CC3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UDUFXSOQMLFJKJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 403.46, ALogP 4.2, HBA 6, HBD 0, PSA 57.76, QED 0.5
Compound (SMILES): COc1cc(-c2nc(C(=O)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: BXWGPWVYGNJWHA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6920 nM (pChEMBL 5.159999847412109)
Descriptors: MW 391.41, ALogP 3.35, HBA 7, HBD 0, PSA 74.83, QED 0.49
Compound (SMILES): COc1cc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XLFWXAAKVNJNFN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6170 nM (pChEMBL 5.210000038146973)
Descriptors: MW 456.43, ALogP 4.26, HBA 7, HBD 1, PSA 86.86, QED 0.49
Compound (SMILES): COc1cc(-c2nc(/C=C/c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: SGWVOMLONNTKIC-IZZDOVSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 389.43, ALogP 4.29, HBA 6, HBD 0, PSA 57.76, QED 0.51
Compound (SMILES): COc1cc(-c2nc(CNc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: PXLRSZKTKZDTLM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 442.45, ALogP 4.62, HBA 7, HBD 1, PSA 69.79, QED 0.47
Compound (SMILES): COc1cc(-c2nc(N[C@@H](C)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: KWTBKKOEOLOHAL-HNNXBMFYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 406.47, ALogP 4.3, HBA 7, HBD 1, PSA 69.79, QED 0.52
Compound (SMILES): COc1cc(-c2nc(Oc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UAAJAJHKTPDSQY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 429.4, ALogP 4.8, HBA 7, HBD 0, PSA 66.99, QED 0.46
Compound (SMILES): COc1cc(-c2nc(Sc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: NOOCCWMPCAGOSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 445.47, ALogP 5.15, HBA 7, HBD 0, PSA 57.76, QED 0.43
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RVBYMKGPNMOQRB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: VPWUPQUFUZDXSX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 360.42, ALogP 3.73, HBA 7, HBD 1, PSA 69.79, QED 0.59
Compound (SMILES): COc1cc(-c2nc(N3CCCc4ccccc43)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: GIRLYGPUZOPMSB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 400.49, ALogP 4.07, HBA 7, HBD 0, PSA 61, QED 0.52
Compound (SMILES): CNc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1-c1cccc(C(F)(F)F)c1
InChIKey: HATJLUYZMFJYFR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 428.42, ALogP 4.5, HBA 7, HBD 1, PSA 69.79, QED 0.51
Compound (SMILES): COc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2C)cc(C(F)(F)F)c1
InChIKey: GVALCCSQBUYJDL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 458.44, ALogP 4.76, HBA 8, HBD 1, PSA 79.02, QED 0.45
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(OC(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQMCZHMNJPMERC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 444.42, ALogP 4.63, HBA 8, HBD 1, PSA 79.02, QED 0.47
Compound (SMILES): COc1cc(-c2nc(Nc3ccc(C(F)(F)F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: DDXQJLHPRQXEIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RYKZGRFQSYQWNX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: WHQMAYDRXHCVRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 374.45, ALogP 4.04, HBA 7, HBD 1, PSA 69.79, QED 0.57
Compound (SMILES): COc1ccccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1C
InChIKey: HNMOIKMJXNOXAI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 178 nM (pChEMBL 6.75)
Descriptors: MW 390.45, ALogP 3.74, HBA 8, HBD 1, PSA 79.02, QED 0.54
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQRTXLAOWKZRTD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 446.41, ALogP 4.89, HBA 7, HBD 1, PSA 69.79, QED 0.44
Compound (SMILES): COc1cc(-c2nc(Nc3cc(N(C)C)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: JDKUGBDQALUAPJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 421.48, ALogP 3.93, HBA 8, HBD 1, PSA 73.03, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccnc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: ZUVQRAIUGSBOKT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 603 nM (pChEMBL 6.21999979019165)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IGSXBRCFHXECRQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IVHDOVLHZVPDCB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 447.4, ALogP 4.28, HBA 8, HBD 1, PSA 82.68, QED 0.46
Compound (SMILES): COc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LMLLOOJWUHPETM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(N(C)c3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LFNYDYHSALHHHD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 461.42, ALogP 4.31, HBA 8, HBD 0, PSA 73.89, QED 0.41
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)n1
InChIKey: LFIASPNVAFENEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-c1ccnc(C)c1
InChIKey: ZZUQNLJXWMMPKN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 439.44, ALogP 5.62, HBA 6, HBD 1, PSA 64.86, QED 0.44
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2)cn1
InChIKey: FZEKAQLRLZKYRE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 416.38, ALogP 4.88, HBA 6, HBD 1, PSA 60.56, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)nc2C)cn1
InChIKey: YANKGDXYBDQGAP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 431.4, ALogP 4.58, HBA 7, HBD 1, PSA 73.45, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2C#N)cn1
InChIKey: KOSXCVWYEAFBIP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 441.39, ALogP 4.75, HBA 7, HBD 1, PSA 84.35, QED 0.46
Compound (SMILES): COc1c(-n2cnc(C)c2)ccc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)c1F
InChIKey: XUSNWPKNOZVCDU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)cn1
InChIKey: JNUQAYABTZKTEL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 500.38, ALogP 5.78, HBA 7, HBD 1, PSA 69.79, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)cc(F)c1-n1cnc(C)c1
InChIKey: IJVGZSADNSFGIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): CCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: YKBWQDBCBORIMB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 460.44, ALogP 5.37, HBA 7, HBD 1, PSA 69.79, QED 0.39
Compound (SMILES): COCCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: KEUUFBMIEKZMNE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 490.46, ALogP 5, HBA 8, HBD 1, PSA 79.02, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CCC#N)n2)ccc1-n1cnc(C)c1
InChIKey: UEHYTRXEDKGHOC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 485.45, ALogP 5.26, HBA 8, HBD 1, PSA 93.58, QED 0.36
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1cnc(C)c1
InChIKey: ICIJXEDXCAIRIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 504.49, ALogP 5.12, HBA 8, HBD 2, PSA 90.02, QED 0.34
Compound (SMILES): COc1cc(-c2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RXIJGUKVYXFOPW-HOTGVXAUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 434.47, ALogP 4.52, HBA 7, HBD 1, PSA 69.79, QED 0.64
Compound (SMILES): COc1cc(-c2nc(N3CCCC(C(F)(F)F)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1
InChIKey: XNKHIBYSODZCIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 448.49, ALogP 4.81, HBA 7, HBD 0, PSA 61, QED 0.56
Compound (SMILES): COc1cc(-c2nc(C3(c4ccc(F)cc4)CC3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UDUFXSOQMLFJKJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 403.46, ALogP 4.2, HBA 6, HBD 0, PSA 57.76, QED 0.5
Compound (SMILES): COc1cc(-c2nc(C(=O)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: BXWGPWVYGNJWHA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6920 nM (pChEMBL 5.159999847412109)
Descriptors: MW 391.41, ALogP 3.35, HBA 7, HBD 0, PSA 74.83, QED 0.49
Compound (SMILES): COc1cc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XLFWXAAKVNJNFN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6170 nM (pChEMBL 5.210000038146973)
Descriptors: MW 456.43, ALogP 4.26, HBA 7, HBD 1, PSA 86.86, QED 0.49
Compound (SMILES): COc1cc(-c2nc(/C=C/c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: SGWVOMLONNTKIC-IZZDOVSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 389.43, ALogP 4.29, HBA 6, HBD 0, PSA 57.76, QED 0.51
Compound (SMILES): COc1cc(-c2nc(CNc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: PXLRSZKTKZDTLM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 442.45, ALogP 4.62, HBA 7, HBD 1, PSA 69.79, QED 0.47
Compound (SMILES): COc1cc(-c2nc(N[C@@H](C)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: KWTBKKOEOLOHAL-HNNXBMFYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 406.47, ALogP 4.3, HBA 7, HBD 1, PSA 69.79, QED 0.52
Compound (SMILES): COc1cc(-c2nc(Oc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UAAJAJHKTPDSQY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 429.4, ALogP 4.8, HBA 7, HBD 0, PSA 66.99, QED 0.46
Compound (SMILES): COc1cc(-c2nc(Sc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: NOOCCWMPCAGOSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 445.47, ALogP 5.15, HBA 7, HBD 0, PSA 57.76, QED 0.43
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RVBYMKGPNMOQRB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: VPWUPQUFUZDXSX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 360.42, ALogP 3.73, HBA 7, HBD 1, PSA 69.79, QED 0.59
Compound (SMILES): COc1cc(-c2nc(N3CCCc4ccccc43)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: GIRLYGPUZOPMSB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 400.49, ALogP 4.07, HBA 7, HBD 0, PSA 61, QED 0.52
Compound (SMILES): CNc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1-c1cccc(C(F)(F)F)c1
InChIKey: HATJLUYZMFJYFR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 428.42, ALogP 4.5, HBA 7, HBD 1, PSA 69.79, QED 0.51
Compound (SMILES): COc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2C)cc(C(F)(F)F)c1
InChIKey: GVALCCSQBUYJDL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 458.44, ALogP 4.76, HBA 8, HBD 1, PSA 79.02, QED 0.45
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(OC(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQMCZHMNJPMERC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 444.42, ALogP 4.63, HBA 8, HBD 1, PSA 79.02, QED 0.47
Compound (SMILES): COc1cc(-c2nc(Nc3ccc(C(F)(F)F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: DDXQJLHPRQXEIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RYKZGRFQSYQWNX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: WHQMAYDRXHCVRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 374.45, ALogP 4.04, HBA 7, HBD 1, PSA 69.79, QED 0.57
Compound (SMILES): COc1ccccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1C
InChIKey: HNMOIKMJXNOXAI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 178 nM (pChEMBL 6.75)
Descriptors: MW 390.45, ALogP 3.74, HBA 8, HBD 1, PSA 79.02, QED 0.54
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQRTXLAOWKZRTD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 446.41, ALogP 4.89, HBA 7, HBD 1, PSA 69.79, QED 0.44
Compound (SMILES): COc1cc(-c2nc(Nc3cc(N(C)C)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: JDKUGBDQALUAPJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 421.48, ALogP 3.93, HBA 8, HBD 1, PSA 73.03, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccnc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: ZUVQRAIUGSBOKT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 603 nM (pChEMBL 6.21999979019165)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IGSXBRCFHXECRQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IVHDOVLHZVPDCB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 447.4, ALogP 4.28, HBA 8, HBD 1, PSA 82.68, QED 0.46
Compound (SMILES): COc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LMLLOOJWUHPETM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(N(C)c3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LFNYDYHSALHHHD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 461.42, ALogP 4.31, HBA 8, HBD 0, PSA 73.89, QED 0.41
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)n1
InChIKey: LFIASPNVAFENEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-c1ccnc(C)c1
InChIKey: ZZUQNLJXWMMPKN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 439.44, ALogP 5.62, HBA 6, HBD 1, PSA 64.86, QED 0.44
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2)cn1
InChIKey: FZEKAQLRLZKYRE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 416.38, ALogP 4.88, HBA 6, HBD 1, PSA 60.56, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)nc2C)cn1
InChIKey: YANKGDXYBDQGAP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 431.4, ALogP 4.58, HBA 7, HBD 1, PSA 73.45, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2C#N)cn1
InChIKey: KOSXCVWYEAFBIP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 441.39, ALogP 4.75, HBA 7, HBD 1, PSA 84.35, QED 0.46
Compound (SMILES): COc1c(-n2cnc(C)c2)ccc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)c1F
InChIKey: XUSNWPKNOZVCDU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)cn1
InChIKey: JNUQAYABTZKTEL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 500.38, ALogP 5.78, HBA 7, HBD 1, PSA 69.79, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)cc(F)c1-n1cnc(C)c1
InChIKey: IJVGZSADNSFGIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): CCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: YKBWQDBCBORIMB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 460.44, ALogP 5.37, HBA 7, HBD 1, PSA 69.79, QED 0.39
Compound (SMILES): COCCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: KEUUFBMIEKZMNE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 490.46, ALogP 5, HBA 8, HBD 1, PSA 79.02, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CCC#N)n2)ccc1-n1cnc(C)c1
InChIKey: UEHYTRXEDKGHOC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 485.45, ALogP 5.26, HBA 8, HBD 1, PSA 93.58, QED 0.36
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1cnc(C)c1
InChIKey: ICIJXEDXCAIRIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 504.49, ALogP 5.12, HBA 8, HBD 2, PSA 90.02, QED 0.34
Compound (SMILES): COc1cc(-c2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RXIJGUKVYXFOPW-HOTGVXAUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 434.47, ALogP 4.52, HBA 7, HBD 1, PSA 69.79, QED 0.64
Compound (SMILES): COc1cc(-c2nc(N3CCCC(C(F)(F)F)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1
InChIKey: XNKHIBYSODZCIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 670 nM (pChEMBL 6.170000076293945)
Descriptors: MW 448.49, ALogP 4.81, HBA 7, HBD 0, PSA 61, QED 0.56
Compound (SMILES): COc1cc(-c2nc(C3(c4ccc(F)cc4)CC3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UDUFXSOQMLFJKJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 403.46, ALogP 4.2, HBA 6, HBD 0, PSA 57.76, QED 0.5
Compound (SMILES): COc1cc(-c2nc(C(=O)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: BXWGPWVYGNJWHA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6920 nM (pChEMBL 5.159999847412109)
Descriptors: MW 391.41, ALogP 3.35, HBA 7, HBD 0, PSA 74.83, QED 0.49
Compound (SMILES): COc1cc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XLFWXAAKVNJNFN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 6170 nM (pChEMBL 5.210000038146973)
Descriptors: MW 456.43, ALogP 4.26, HBA 7, HBD 1, PSA 86.86, QED 0.49
Compound (SMILES): COc1cc(-c2nc(/C=C/c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: SGWVOMLONNTKIC-IZZDOVSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 389.43, ALogP 4.29, HBA 6, HBD 0, PSA 57.76, QED 0.51
Compound (SMILES): COc1cc(-c2nc(CNc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: PXLRSZKTKZDTLM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 442.45, ALogP 4.62, HBA 7, HBD 1, PSA 69.79, QED 0.47
Compound (SMILES): COc1cc(-c2nc(N[C@@H](C)c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: KWTBKKOEOLOHAL-HNNXBMFYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 406.47, ALogP 4.3, HBA 7, HBD 1, PSA 69.79, QED 0.52
Compound (SMILES): COc1cc(-c2nc(Oc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: UAAJAJHKTPDSQY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 429.4, ALogP 4.8, HBA 7, HBD 0, PSA 66.99, QED 0.46
Compound (SMILES): COc1cc(-c2nc(Sc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: NOOCCWMPCAGOSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 445.47, ALogP 5.15, HBA 7, HBD 0, PSA 57.76, QED 0.43
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RVBYMKGPNMOQRB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: VPWUPQUFUZDXSX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 360.42, ALogP 3.73, HBA 7, HBD 1, PSA 69.79, QED 0.59
Compound (SMILES): COc1cc(-c2nc(N3CCCc4ccccc43)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: GIRLYGPUZOPMSB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 400.49, ALogP 4.07, HBA 7, HBD 0, PSA 61, QED 0.52
Compound (SMILES): CNc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1-c1cccc(C(F)(F)F)c1
InChIKey: HATJLUYZMFJYFR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 428.42, ALogP 4.5, HBA 7, HBD 1, PSA 69.79, QED 0.51
Compound (SMILES): COc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2C)cc(C(F)(F)F)c1
InChIKey: GVALCCSQBUYJDL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 458.44, ALogP 4.76, HBA 8, HBD 1, PSA 79.02, QED 0.45
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(OC(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQMCZHMNJPMERC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 444.42, ALogP 4.63, HBA 8, HBD 1, PSA 79.02, QED 0.47
Compound (SMILES): COc1cc(-c2nc(Nc3ccc(C(F)(F)F)cc3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: DDXQJLHPRQXEIT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: RYKZGRFQSYQWNX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 428.42, ALogP 4.75, HBA 7, HBD 1, PSA 69.79, QED 0.5
Compound (SMILES): COc1cc(-c2nc(Nc3ccccc3C)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: WHQMAYDRXHCVRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 374.45, ALogP 4.04, HBA 7, HBD 1, PSA 69.79, QED 0.57
Compound (SMILES): COc1ccccc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1C
InChIKey: HNMOIKMJXNOXAI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 178 nM (pChEMBL 6.75)
Descriptors: MW 390.45, ALogP 3.74, HBA 8, HBD 1, PSA 79.02, QED 0.54
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: XQRTXLAOWKZRTD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 446.41, ALogP 4.89, HBA 7, HBD 1, PSA 69.79, QED 0.44
Compound (SMILES): COc1cc(-c2nc(Nc3cc(N(C)C)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: JDKUGBDQALUAPJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 421.48, ALogP 3.93, HBA 8, HBD 1, PSA 73.03, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccnc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: ZUVQRAIUGSBOKT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 603 nM (pChEMBL 6.21999979019165)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IGSXBRCFHXECRQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: IVHDOVLHZVPDCB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 447.4, ALogP 4.28, HBA 8, HBD 1, PSA 82.68, QED 0.46
Compound (SMILES): COc1nc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LMLLOOJWUHPETM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1nc(-c2nc(N(C)c3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1
InChIKey: LFNYDYHSALHHHD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 461.42, ALogP 4.31, HBA 8, HBD 0, PSA 73.89, QED 0.41
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)n1
InChIKey: LFIASPNVAFENEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 429.41, ALogP 4.14, HBA 8, HBD 1, PSA 82.68, QED 0.51
Compound (SMILES): COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-c1ccnc(C)c1
InChIKey: ZZUQNLJXWMMPKN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 439.44, ALogP 5.62, HBA 6, HBD 1, PSA 64.86, QED 0.44
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2)cn1
InChIKey: FZEKAQLRLZKYRE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 416.38, ALogP 4.88, HBA 6, HBD 1, PSA 60.56, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)nc2C)cn1
InChIKey: YANKGDXYBDQGAP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 431.4, ALogP 4.58, HBA 7, HBD 1, PSA 73.45, QED 0.48
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2C#N)cn1
InChIKey: KOSXCVWYEAFBIP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 441.39, ALogP 4.75, HBA 7, HBD 1, PSA 84.35, QED 0.46
Compound (SMILES): COc1c(-n2cnc(C)c2)ccc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)c1F
InChIKey: XUSNWPKNOZVCDU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)cn1
InChIKey: JNUQAYABTZKTEL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 500.38, ALogP 5.78, HBA 7, HBD 1, PSA 69.79, QED 0.35
Compound (SMILES): COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)cc(F)c1-n1cnc(C)c1
InChIKey: IJVGZSADNSFGIY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 464.4, ALogP 5.03, HBA 7, HBD 1, PSA 69.79, QED 0.42
Compound (SMILES): CCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: YKBWQDBCBORIMB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 460.44, ALogP 5.37, HBA 7, HBD 1, PSA 69.79, QED 0.39
Compound (SMILES): COCCn1nc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nc1Nc1cc(C(F)(F)F)ccc1F
InChIKey: KEUUFBMIEKZMNE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of human gamma secretase assessed as reduction in Abeta42 level
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 490.46, ALogP 5, HBA 8, HBD 1, PSA 79.02, QED 0.35