lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CS(=O)(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: BBJVILCGKJKEIO-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 146 nM (pChEMBL 6.840000152587891)
Descriptors: MW 455.54, ALogP 2.98, HBA 6, HBD 2, PSA 117.28, QED 0.57
Compound (SMILES): NC(=O)c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: UUPLSGILIIXFNZ-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 93.1 nM (pChEMBL 7.03000020980835)
Descriptors: MW 405.46, ALogP 2.7, HBA 5, HBD 2, PSA 114.2, QED 0.65
Compound (SMILES): O=C(O)c1ccc(C(=O)Nc2nn(Cc3ccc(OC(F)F)cc3)c3ccc(F)cc23)cc1
InChIKey: ZQNJHVSALZGLRX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 155.7 nM (pChEMBL 6.809999942779541)
Descriptors: MW 455.39, ALogP 4.78, HBA 5, HBD 2, PSA 93.45, QED 0.42
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)c1
InChIKey: IGHMIDUCAXGSAP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 18.6 nM (pChEMBL 7.730000019073486)
Descriptors: MW 484.93, ALogP 3.58, HBA 7, HBD 3, PSA 138.96, QED 0.36
Compound (SMILES): O=C(COc1ccccc1)N1CCNCC1c1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIKey: IXDSFLYDDSAPDN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 88.7 nM (pChEMBL 7.050000190734863)
Descriptors: MW 449.51, ALogP 2.13, HBA 8, HBD 1, PSA 92.96, QED 0.61
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: HCPMLAAHDBJLCK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 26.7 nM (pChEMBL 7.570000171661377)
Descriptors: MW 500.96, ALogP 4.44, HBA 5, HBD 2, PSA 113.01, QED 0.52
Compound (SMILES): O=C1Cc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1
InChIKey: XLAXXQBYJBMZTD-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 95.9 nM (pChEMBL 7.019999980926514)
Descriptors: MW 418.45, ALogP 3.36, HBA 6, HBD 1, PSA 97.56, QED 0.68
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: BFVISWSBCVBJHU-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 40.05 nM (pChEMBL 7.400000095367432)
Descriptors: MW 502.93, ALogP 3.89, HBA 6, HBD 2, PSA 122.24, QED 0.52
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1
InChIKey: NCHMTERDWPJFRB-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 35.4 nM (pChEMBL 7.449999809265137)
Descriptors: MW 419.44, ALogP 3.04, HBA 6, HBD 2, PSA 117.11, QED 0.51
Compound (SMILES): O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIKey: ZPBDOQSMFPXRFB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 209.9 nM (pChEMBL 6.679999828338623)
Descriptors: MW 479.42, ALogP 4.26, HBA 7, HBD 2, PSA 110.61, QED 0.36
Compound (SMILES): CN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)C1
InChIKey: KOHGQBLJUIRTRB-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 445.45, ALogP 3.38, HBA 5, HBD 1, PSA 74.35, QED 0.65
Compound (SMILES): O=C1Cc2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIKey: KVSXMJXPPGXRSH-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 13.2 nM (pChEMBL 7.880000114440918)
Descriptors: MW 418.45, ALogP 3.36, HBA 6, HBD 1, PSA 97.56, QED 0.68
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C#Cc2ccc(C(=O)O)cc2)c1
InChIKey: KVBIBHDBHXJLCZ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 226.45 nM (pChEMBL 6.639999866485596)
Descriptors: MW 441.89, ALogP 4.25, HBA 4, HBD 2, PSA 92.7, QED 0.58
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1
InChIKey: DRGDCRIWFXFGPS-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 26.05 nM (pChEMBL 7.579999923706055)
Descriptors: MW 403.44, ALogP 3.75, HBA 6, HBD 1, PSA 97.14, QED 0.55
Compound (SMILES): O=C(NCc1ccc(-c2nnn[nH]2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIKey: JLBSIAKNWKCVHG-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 220.9 nM (pChEMBL 6.659999847412109)
Descriptors: MW 493.45, ALogP 3.94, HBA 7, HBD 2, PSA 110.61, QED 0.34
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)cc21
InChIKey: KAXYLHWMJPHRRU-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 542.96, ALogP 3.53, HBA 8, HBD 2, PSA 143.83, QED 0.38
Compound (SMILES): O=C1Cc2ccc(-c3n[nH]c([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1
InChIKey: PFHSHMJSZLQURP-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 210.9 nM (pChEMBL 6.679999828338623)
Descriptors: MW 417.47, ALogP 3.1, HBA 5, HBD 2, PSA 100.21, QED 0.66
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2
InChIKey: CGIWLRCLCBSJIX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 167.25 nM (pChEMBL 6.78000020980835)
Descriptors: MW 508.45, ALogP 4.55, HBA 4, HBD 2, PSA 103.78, QED 0.49
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2
InChIKey: IOUWXGTYXJUJRE-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 102.1 nM (pChEMBL 6.989999771118164)
Descriptors: MW 509.34, ALogP 4.83, HBA 4, HBD 2, PSA 103.78, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: BGEFVKLBAGSGGD-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 72.2 nM (pChEMBL 7.139999866485596)
Descriptors: MW 504.92, ALogP 4.19, HBA 5, HBD 2, PSA 113.01, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: LKYASXOUVATNQK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 131.8 nM (pChEMBL 6.880000114440918)
Descriptors: MW 521.38, ALogP 4.7, HBA 5, HBD 2, PSA 113.01, QED 0.49
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC2
InChIKey: SZJUXRDOFCQQFD-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 90.25 nM (pChEMBL 7.039999961853027)
Descriptors: MW 525.8, ALogP 5.35, HBA 4, HBD 2, PSA 103.78, QED 0.47
Compound (SMILES): COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: SMPGZXBLBJKMOQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 152.1 nM (pChEMBL 6.820000171661377)
Descriptors: MW 498.53, ALogP 4.23, HBA 5, HBD 2, PSA 113.01, QED 0.53
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: BWKMNDMWKXZHHO-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 38.1 nM (pChEMBL 7.420000076293945)
Descriptors: MW 518.95, ALogP 4.58, HBA 5, HBD 2, PSA 113.01, QED 0.49
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)cc(Cl)c1)CCC2
InChIKey: CZUVTRJMUREEPF-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 110.9 nM (pChEMBL 6.960000038146973)
Descriptors: MW 523.37, ALogP 5.22, HBA 4, HBD 2, PSA 103.78, QED 0.48
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCC2
InChIKey: NGWLGADOKZJSGL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 126.4 nM (pChEMBL 6.900000095367432)
Descriptors: MW 522.48, ALogP 4.94, HBA 4, HBD 2, PSA 103.78, QED 0.46
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cn(C)c1=O
InChIKey: OWRHABMJCNREAP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 126.9 nM (pChEMBL 6.900000095367432)
Descriptors: MW 491.91, ALogP 2.8, HBA 7, HBD 3, PSA 143.8, QED 0.46
Compound (SMILES): O=C(COc1ccccc1)N1CCNC[C@@H]1c1nc(-c2ccc3[nH]cnc3c2)no1
InChIKey: HKXDPPVIBXTAQN-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 131.8 nM (pChEMBL 6.880000114440918)
Descriptors: MW 404.43, ALogP 2.16, HBA 7, HBD 2, PSA 109.17, QED 0.52
Compound (SMILES): CN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1
InChIKey: IOMMSRSRJRHQEB-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 136.95 nM (pChEMBL 6.860000133514404)
Descriptors: MW 433.47, ALogP 2.13, HBA 7, HBD 1, PSA 100.8, QED 0.66
Compound (SMILES): O=C1Cc2cc(-c3noc([C@H]4CNCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIKey: ACACJKWNTGDOGN-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 104.95 nM (pChEMBL 6.980000019073486)
Descriptors: MW 419.44, ALogP 1.78, HBA 7, HBD 2, PSA 109.59, QED 0.65
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(=O)[nH]c2)no1
InChIKey: NIGUPBZRUNGVGT-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 325.4 nM (pChEMBL 6.489999771118164)
Descriptors: MW 380.4, ALogP 2.56, HBA 6, HBD 1, PSA 101.32, QED 0.73
Compound (SMILES): CN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4[nH]nnc4c3)no2)C1
InChIKey: BATJJGHGYUSMPU-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 24.6 nM (pChEMBL 7.610000133514404)
Descriptors: MW 419.45, ALogP 1.9, HBA 8, HBD 1, PSA 113.27, QED 0.52
Compound (SMILES): NC(=O)c1n[nH]c2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc12
InChIKey: QXNDAZBTHHPSCK-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 63.5 nM (pChEMBL 7.199999809265137)
Descriptors: MW 446.47, ALogP 2.84, HBA 7, HBD 2, PSA 140.23, QED 0.46
Compound (SMILES): O=C(O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: LWWZFJWKFAARAB-QGZVFWFLSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 226.2 nM (pChEMBL 6.650000095367432)
Descriptors: MW 408.41, ALogP 2.96, HBA 7, HBD 1, PSA 118.65, QED 0.66
Compound (SMILES): CCOC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: JVBJOUSITVTBPI-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 78.6 nM (pChEMBL 7.110000133514404)
Descriptors: MW 436.47, ALogP 3.44, HBA 8, HBD 0, PSA 107.65, QED 0.52
Compound (SMILES): O=C(O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)s2)cc1
InChIKey: AFYWOFAPVSDDEN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 152.6 nM (pChEMBL 6.820000171661377)
Descriptors: MW 471.34, ALogP 4.81, HBA 5, HBD 3, PSA 112.57, QED 0.48
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]ncc3c2)n[nH]1
InChIKey: COIMDOZWRCAOAJ-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 87.4 nM (pChEMBL 7.059999942779541)
Descriptors: MW 402.46, ALogP 3.48, HBA 5, HBD 2, PSA 99.79, QED 0.53
Compound (SMILES): NC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: OCGYMKKBFGNOHO-QGZVFWFLSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 112.95 nM (pChEMBL 6.949999809265137)
Descriptors: MW 407.43, ALogP 2.36, HBA 7, HBD 1, PSA 124.44, QED 0.66
Compound (SMILES): CCOC(=O)c1cn2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2n1
InChIKey: SHXMBGLFMIBTOM-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 68.1 nM (pChEMBL 7.170000076293945)
Descriptors: MW 475.51, ALogP 3.69, HBA 9, HBD 0, PSA 112.06, QED 0.37
Compound (SMILES): NC(=O)c1cn2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2n1
InChIKey: PCZJKVXCVCIFBJ-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 96.4 nM (pChEMBL 7.019999980926514)
Descriptors: MW 446.47, ALogP 2.62, HBA 8, HBD 1, PSA 128.85, QED 0.48
Compound (SMILES): O=C(NCCO)c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: DECKVJPZZCDYQV-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 242 nM (pChEMBL 6.619999885559082)
Descriptors: MW 449.51, ALogP 2.33, HBA 6, HBD 3, PSA 120.44, QED 0.49
Compound (SMILES): COC[C@@H]1CCN(NC(=O)c2cccc(-c3n[nH]c([C@H]4CCCCN4C(=O)COc4ccccc4)n3)c2)C1
InChIKey: OKDBMOKPHKCCDO-HYBUGGRVSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 159.1 nM (pChEMBL 6.800000190734863)
Descriptors: MW 518.62, ALogP 3.22, HBA 7, HBD 2, PSA 112.68, QED 0.45
Compound (SMILES): N#Cc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: WBBBFKGKUNXOGR-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 160.6 nM (pChEMBL 6.789999961853027)
Descriptors: MW 387.44, ALogP 3.48, HBA 5, HBD 1, PSA 94.9, QED 0.72
Compound (SMILES): Nc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1
InChIKey: CKSIAVBIICXVIU-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 108 nM (pChEMBL 6.96999979019165)
Descriptors: MW 379.42, ALogP 2.85, HBA 7, HBD 1, PSA 107.37, QED 0.73
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: CSQAWPPUGKIMRP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 65.15 nM (pChEMBL 7.190000057220459)
Descriptors: MW 520.92, ALogP 4.03, HBA 6, HBD 2, PSA 122.24, QED 0.5
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: SACPCJLVXDGFLA-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 247.8 nM (pChEMBL 6.610000133514404)
Descriptors: MW 537.38, ALogP 4.54, HBA 6, HBD 2, PSA 122.24, QED 0.47
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21
InChIKey: BFHJSGIUHSWCJX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 111.2 nM (pChEMBL 6.949999809265137)
Descriptors: MW 467.93, ALogP 4.2, HBA 4, HBD 1, PSA 83.91, QED 0.58
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCNc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: QOSUEZWHSLNSFR-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 71.3 nM (pChEMBL 7.150000095367432)
Descriptors: MW 501.95, ALogP 3.92, HBA 6, HBD 3, PSA 125.04, QED 0.47
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)nc3)cc21
InChIKey: IMOWUVBXJPFPIG-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 232.2 nM (pChEMBL 6.630000114440918)
Descriptors: MW 503.92, ALogP 3.28, HBA 7, HBD 2, PSA 135.13, QED 0.52
Compound (SMILES): CCC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: UMHXSIROGJZGSZ-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 35.6 nM (pChEMBL 7.449999809265137)
Descriptors: MW 433.51, ALogP 3.95, HBA 5, HBD 2, PSA 100.21, QED 0.59
Compound (SMILES): CC(C)C(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: QRHJGUCTLPMQDZ-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 72.1 nM (pChEMBL 7.139999866485596)
Descriptors: MW 447.54, ALogP 4.2, HBA 5, HBD 2, PSA 100.21, QED 0.57
Compound (SMILES): Cc1cc(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)nn1Cc1ccc(OC(F)F)cc1
InChIKey: JDBUMQXMBQTRFB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 191.7 nM (pChEMBL 6.71999979019165)
Descriptors: MW 425.4, ALogP 3.27, HBA 7, HBD 2, PSA 110.61, QED 0.47
Compound (SMILES): CC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1
InChIKey: MMHUAKLGGDBLQJ-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 43.8 nM (pChEMBL 7.360000133514404)
Descriptors: MW 420.47, ALogP 3.83, HBA 6, HBD 1, PSA 97.56, QED 0.65
Compound (SMILES): CCNC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: WSYCXVYSIAZIHI-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 52.3 nM (pChEMBL 7.28000020980835)
Descriptors: MW 448.53, ALogP 3.75, HBA 5, HBD 3, PSA 112.24, QED 0.51
Compound (SMILES): O=C1CCN1c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: AQLRDCIYISMHFI-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 113.6 nM (pChEMBL 6.949999809265137)
Descriptors: MW 431.5, ALogP 3.34, HBA 5, HBD 1, PSA 91.42, QED 0.6
Compound (SMILES): O=C(COc1ccccc1)N1CCCCC1c1cc(-c2ccccc2)n[nH]1
InChIKey: LOKNESXGYMGRDY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 159 nM (pChEMBL 6.800000190734863)
Descriptors: MW 361.45, ALogP 4.21, HBA 3, HBD 1, PSA 58.22, QED 0.74
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: IEWKEBHOFUMHLH-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 56.1 nM (pChEMBL 7.25)
Descriptors: MW 488.91, ALogP 3.84, HBA 6, HBD 2, PSA 122.24, QED 0.54
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCN(C(=O)COc2ccccc2)C1
InChIKey: ITWNWGRAJNYRPM-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 133.95 nM (pChEMBL 6.869999885559082)
Descriptors: MW 438.93, ALogP 2.7, HBA 5, HBD 1, PSA 84.94, QED 0.72
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: ZGLSSMLTSFMJNT-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 523.35, ALogP 4.5, HBA 6, HBD 2, PSA 122.24, QED 0.49
Compound (SMILES): O=C(COc1ccccc1)N1CCCCC1c1ncc(-c2cccc([N+](=O)[O-])c2)s1
InChIKey: STIOHFGIGRIPDW-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 206.1 nM (pChEMBL 6.690000057220459)
Descriptors: MW 423.49, ALogP 4.85, HBA 6, HBD 0, PSA 85.57, QED 0.42
Compound (SMILES): O=C(COc1ccccc1)N1CCCCC1c1ncc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: OJVILWGSTLHHJO-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 243.3 nM (pChEMBL 6.610000133514404)
Descriptors: MW 407.43, ALogP 4.38, HBA 6, HBD 0, PSA 98.71, QED 0.44
Compound (SMILES): O=C(COc1ccccc1)N1CCCCC1c1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIKey: PMKZKFGGASYAGJ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 281.5 nM (pChEMBL 6.550000190734863)
Descriptors: MW 395.43, ALogP 3.44, HBA 4, HBD 1, PSA 67.33, QED 0.72
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc(O)c2)no1
InChIKey: DGAQHARSIADUJN-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 36.4 nM (pChEMBL 7.440000057220459)
Descriptors: MW 379.42, ALogP 3.57, HBA 6, HBD 1, PSA 88.69, QED 0.73
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cc[nH]c(=O)c2)no1
InChIKey: MLSUFDHIQFAAEB-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 83.4 nM (pChEMBL 7.079999923706055)
Descriptors: MW 380.4, ALogP 2.56, HBA 6, HBD 1, PSA 101.32, QED 0.73
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)no1
InChIKey: AEJOBEPOXULUMQ-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 73.2 nM (pChEMBL 7.130000114440918)
Descriptors: MW 379.42, ALogP 3.57, HBA 6, HBD 1, PSA 88.69, QED 0.73
Compound (SMILES): Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1
InChIKey: AMUOJPCIQMWLGB-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 122.6 nM (pChEMBL 6.909999847412109)
Descriptors: MW 378.44, ALogP 2.58, HBA 6, HBD 2, PSA 110.02, QED 0.71
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: ZHZJSDXGTSOPEQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 139.7 nM (pChEMBL 6.860000133514404)
Descriptors: MW 506.9, ALogP 3.98, HBA 6, HBD 2, PSA 122.24, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: RQULOZSFVZYFGB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 288.7 nM (pChEMBL 6.539999961853027)
Descriptors: MW 514.99, ALogP 4.83, HBA 5, HBD 2, PSA 113.01, QED 0.49
Compound (SMILES): NNC(=O)c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: CIHJLPSDUOSCNY-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 264.4 nM (pChEMBL 6.579999923706055)
Descriptors: MW 420.47, ALogP 2.21, HBA 6, HBD 3, PSA 126.23, QED 0.32
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])n2)no1
InChIKey: OERSEVXWFSJGPY-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 254.2 nM (pChEMBL 6.590000152587891)
Descriptors: MW 409.4, ALogP 3.17, HBA 8, HBD 0, PSA 124.49, QED 0.45
Compound (SMILES): O=C1CN(NC(=O)c2cccc(-c3n[nH]c([C@H]4CCCCN4C(=O)COc4ccccc4)n3)c2)C(=O)N1
InChIKey: RSWBUQKKPWGSFN-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 272.5 nM (pChEMBL 6.570000171661377)
Descriptors: MW 503.52, ALogP 1.8, HBA 7, HBD 3, PSA 149.62, QED 0.42
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc(-c3n[nH]c(=O)o3)c2)n[nH]1
InChIKey: CTCOTKRHBCJOKJ-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 115.4 nM (pChEMBL 6.940000057220459)
Descriptors: MW 446.47, ALogP 2.95, HBA 7, HBD 2, PSA 130, QED 0.47
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc(-c3nnco3)c2)n[nH]1
InChIKey: HFTHZJIBAXDXHF-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 430.47, ALogP 3.65, HBA 7, HBD 1, PSA 110.03, QED 0.5
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: RWQHLBWQIJKZRP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 518.95, ALogP 4.5, HBA 5, HBD 2, PSA 113.01, QED 0.5
Compound (SMILES): O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCO2
InChIKey: BLEZZSVMCXMIKS-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 207.45 nM (pChEMBL 6.679999828338623)
Descriptors: MW 490.9, ALogP 4.02, HBA 5, HBD 2, PSA 113.01, QED 0.56
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)N2CCOc3ccc(C(=O)Nc4ccc(C(=O)O)c(F)c4)cc32)c1
InChIKey: WFQHUQANKYSGGM-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 252.5 nM (pChEMBL 6.599999904632568)
Descriptors: MW 484.51, ALogP 3.98, HBA 5, HBD 2, PSA 113.01, QED 0.57
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: AFPOJEVGADOZQT-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 77.5 nM (pChEMBL 7.110000133514404)
Descriptors: MW 500.96, ALogP 4.36, HBA 5, HBD 2, PSA 113.01, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: ORSDIQTZRNGVQZ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 66.1 nM (pChEMBL 7.179999828338623)
Descriptors: MW 535.41, ALogP 5.01, HBA 5, HBD 2, PSA 113.01, QED 0.46
Compound (SMILES): COc1ccc(-c2noc(C3C[S+]([O-])CCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: ZNEDVKGUMPVGJN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 163.7 nM (pChEMBL 6.789999961853027)
Descriptors: MW 427.48, ALogP 2.46, HBA 7, HBD 0, PSA 100.75, QED 0.56
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1
InChIKey: ZOHOAZGFXMHSOC-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 67.2 nM (pChEMBL 7.170000076293945)
Descriptors: MW 407.24
Compound (SMILES): CN(C)C(=O)c1ccc(-c2noc(C3C4CC4CN3C(=O)COc3ccccc3)n2)cc1
InChIKey: MQAYFBNRZOIGGW-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 164.7 nM (pChEMBL 6.78000020980835)
Descriptors: MW 432.48, ALogP 3.04, HBA 6, HBD 0, PSA 88.77, QED 0.59
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCNc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: CEEVPHOORIYRAU-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 111.6 nM (pChEMBL 6.949999809265137)
Descriptors: MW 519.94, ALogP 4.06, HBA 6, HBD 3, PSA 125.04, QED 0.45
Compound (SMILES): O=C(O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(Cl)c2)CCO3)cc1
InChIKey: YHAMKAQHFZITPX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 66.4 nM (pChEMBL 7.179999828338623)
Descriptors: MW 472.91, ALogP 3.88, HBA 5, HBD 2, PSA 113.01, QED 0.58
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: YQRDREKBJQZCRY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 131.1 nM (pChEMBL 6.880000114440918)
Descriptors: MW 532.98, ALogP 4.97, HBA 5, HBD 2, PSA 113.01, QED 0.46
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: MMRVCLQSFKFWDX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 370.1 nM (pChEMBL 6.429999828338623)
Descriptors: MW 549.43, ALogP 5.48, HBA 5, HBD 2, PSA 113.01, QED 0.42
Compound (SMILES): NC(=O)c1cncc(-c2noc([C@H]3COCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: PYSYPDSQSZYEAR-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 168.25 nM (pChEMBL 6.769999980926514)
Descriptors: MW 409.4, ALogP 1.21, HBA 8, HBD 1, PSA 133.67, QED 0.64
Compound (SMILES): N#Cc1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: SFXNQGRNNCIIBY-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 231.5 nM (pChEMBL 6.630000114440918)
Descriptors: MW 389.42, ALogP 3.14, HBA 7, HBD 0, PSA 105.14, QED 0.66
Compound (SMILES): CNC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: KAJIQYKABLXBBU-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 202.6 nM (pChEMBL 6.690000057220459)
Descriptors: MW 421.46, ALogP 2.62, HBA 7, HBD 1, PSA 110.45, QED 0.65
Compound (SMILES): CCN(CC)C(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: DOSVKEGROQHRSY-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 216.8 nM (pChEMBL 6.659999847412109)
Descriptors: MW 463.54, ALogP 3.75, HBA 7, HBD 0, PSA 101.66, QED 0.5
Compound (SMILES): COCCN(C)C(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: IODYXIFBTWHDHI-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 165.3 nM (pChEMBL 6.78000020980835)
Descriptors: MW 479.54, ALogP 2.98, HBA 8, HBD 0, PSA 110.89, QED 0.46
Compound (SMILES): O=C(NC1CC1)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: DSYKDRRUYARPFZ-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 111 nM (pChEMBL 6.960000038146973)
Descriptors: MW 447.5, ALogP 3.16, HBA 7, HBD 1, PSA 110.45, QED 0.59
Compound (SMILES): O=C1Cc2cc(-c3noc(C4C5CC5CN4C(=O)COc4ccccc4)n3)ccc2N1
InChIKey: KTASILKHUVMXBQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 136.3 nM (pChEMBL 6.869999885559082)
Descriptors: MW 416.44, ALogP 2.83, HBA 6, HBD 1, PSA 97.56, QED 0.69
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(F)cc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: JFAJVNQNDVWECY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 155.5 nM (pChEMBL 6.809999942779541)
Descriptors: MW 520.92, ALogP 3.91, HBA 6, HBD 2, PSA 122.24, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(F)cc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: DLLBGWZVARKRSV-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 31.2 nM (pChEMBL 7.510000228881836)
Descriptors: MW 527.94, ALogP 3.37, HBA 8, HBD 2, PSA 135.13, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCSc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: OVVNCGXAJQJYFL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 120.4 nM (pChEMBL 6.920000076293945)
Descriptors: MW 533.03, ALogP 4.53, HBA 6, HBD 2, PSA 113.01, QED 0.46
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCSc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: TUOYXYAZMDAMLL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 11.6 nM (pChEMBL 7.940000057220459)
Descriptors: MW 540.04, ALogP 3.99, HBA 8, HBD 2, PSA 125.9, QED 0.46
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)COc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: KYADTRCJWHEAFA-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 141.6 nM (pChEMBL 6.849999904632568)
Descriptors: MW 487.92, ALogP 3.61, HBA 7, HBD 2, PSA 118.06, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: YCSNLFLXFNPUBI-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 97.4 nM (pChEMBL 7.010000228881836)
Descriptors: MW 500.96, ALogP 3.98, HBA 5, HBD 2, PSA 113.01, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: WYGPVYAFOXBNJF-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 22.3 nM (pChEMBL 7.650000095367432)
Descriptors: MW 507.98, ALogP 3.44, HBA 7, HBD 2, PSA 125.9, QED 0.5
Compound (SMILES): COc1ccc(C)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: GDBTZZWBNAZLEJ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 29.4 nM (pChEMBL 7.53000020980835)
Descriptors: MW 464.5, ALogP 4.15, HBA 6, HBD 2, PSA 114.7, QED 0.44
Compound (SMILES): O=C(O)c1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3c2)cc1
InChIKey: CCAYCUUCXJGMKQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 16.7 nM (pChEMBL 7.78000020980835)
Descriptors: MW 454.89, ALogP 4.48, HBA 5, HBD 2, PSA 105.47, QED 0.46
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)n2ccc3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc32)c1
InChIKey: JKSJQYCNQZQBFC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 35.3 nM (pChEMBL 7.449999809265137)
Descriptors: MW 448.5, ALogP 4.45, HBA 5, HBD 2, PSA 105.47, QED 0.47
Compound (SMILES): O=C1COc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1
InChIKey: RTNSVSNVJMBATI-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 35.8 nM (pChEMBL 7.449999809265137)
Descriptors: MW 434.45, ALogP 3.2, HBA 7, HBD 1, PSA 106.79, QED 0.66
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)C(C)(C)c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: QWRWWRAAVPZAFU-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 46.8 nM (pChEMBL 7.329999923706055)
Descriptors: MW 499.98, ALogP 4.51, HBA 6, HBD 2, PSA 108.83, QED 0.49
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)C(C)(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: NSEWZBLPYMIDGO-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 67.1 nM (pChEMBL 7.170000076293945)
Descriptors: MW 478.93, ALogP 5.12, HBA 4, HBD 2, PSA 95.94, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1c[nH]c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc12
InChIKey: ZQMJMDRPVFTRIT-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 21.9 nM (pChEMBL 7.659999847412109)
Descriptors: MW 498.94, ALogP 4.54, HBA 5, HBD 3, PSA 125.56, QED 0.34
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1c[nH]c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc12
InChIKey: NGNIYEYIMOQPFR-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 39.3 nM (pChEMBL 7.409999847412109)
Descriptors: MW 505.96, ALogP 4, HBA 7, HBD 3, PSA 138.45, QED 0.34
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: BPSOQMXOYIQQEY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 96.8 nM (pChEMBL 7.010000228881836)
Descriptors: MW 516.96, ALogP 3.82, HBA 6, HBD 2, PSA 122.24, QED 0.49
Compound (SMILES): CCN1C(=O)CC(C)(C)c2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc21
InChIKey: WNJCHLUHGWMHPG-JOCHJYFZSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 168.5 nM (pChEMBL 6.769999980926514)
Descriptors: MW 488.59, ALogP 4.9, HBA 6, HBD 0, PSA 88.77, QED 0.49
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2CCCC2)n1
InChIKey: KGZODYIEDJETCH-QGZVFWFLSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 181.5 nM (pChEMBL 6.739999771118164)
Descriptors: MW 355.44, ALogP 3.86, HBA 5, HBD 0, PSA 68.46, QED 0.81
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: OPPHXUMMBQMBRP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 2, mitochondrial (SINGLE PROTEIN), Rattus norvegicus
UniProt: P18886
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 2
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 523.98, ALogP 3.27, HBA 8, HBD 2, PSA 135.13, QED 0.48
Compound (SMILES): O=C(COc1ccncc1)N1CCCC[C@@H]1c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIKey: QOTMOAFGHITVEW-QGZVFWFLSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 165.1 nM (pChEMBL 6.78000020980835)
Descriptors: MW 431.42, ALogP 4.02, HBA 5, HBD 1, PSA 84, QED 0.66
Compound (SMILES): CC(=O)Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)n(C)n2)c1
InChIKey: OSZHSVICFXXLPV-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, liver isoform
Measurement: IC50 = 200.9 nM (pChEMBL 6.699999809265137)
Descriptors: MW 433.51, ALogP 3.57, HBA 6, HBD 1, PSA 89.35, QED 0.64