lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1Cc2ccc(O[C@@H]3CCOC3)cc2C1
InChIKey: DAQXVZHMMCPNML-DNQXCXABSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 450.54, ALogP 3.16, HBA 5, HBD 0, PSA 68.31, QED 0.68
Compound (SMILES): O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1Cc2ccc(O[C@H]3CCOC3)cc2C1
InChIKey: DAQXVZHMMCPNML-BJKOFHAPSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 450.54, ALogP 3.16, HBA 5, HBD 0, PSA 68.31, QED 0.68
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)cs1
InChIKey: LPQRFRDJNVAWRA-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 378.5, ALogP 4.94, HBA 4, HBD 0, PSA 42.43, QED 0.63
Compound (SMILES): O=C(O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: CMHUFYBMYCLBNW-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 29035 nM (pChEMBL 4.539999961853027)
Descriptors: MW 422.51, ALogP 4.64, HBA 5, HBD 1, PSA 79.73, QED 0.63
Compound (SMILES): O=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: COZAMSMQQJIXFT-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 422.51, ALogP 4.64, HBA 5, HBD 1, PSA 79.73, QED 0.63
Compound (SMILES): O=C([O-])c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.[Na+]
InChIKey: MOSOFKKSSVFHKG-VEIFNGETSA-M
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 422.51, ALogP 4.64, HBA 5, HBD 1, PSA 79.73, QED 0.63
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccnc2)cs1
InChIKey: HPVZRIKZJLDUBC-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 71542.5 nM (pChEMBL 4.139999866485596)
Descriptors: MW 379.49, ALogP 4.34, HBA 5, HBD 0, PSA 55.32, QED 0.66
Compound (SMILES): COc1ccc(Cl)cc1-c1csc([C@H]2CCCCN2C(=O)COc2ccccc2)n1
InChIKey: KLKTWCJBGSOECN-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 442.97, ALogP 5.6, HBA 5, HBD 0, PSA 51.66, QED 0.5
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccncc2)cs1
InChIKey: FVCMRTFFQRLDFL-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 379.49, ALogP 4.34, HBA 5, HBD 0, PSA 55.32, QED 0.66
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)C2(CC2)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: YHZQDRWNYAOOEG-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 11032.3 nM (pChEMBL 4.960000038146973)
Descriptors: MW 476.92, ALogP 4.88, HBA 4, HBD 2, PSA 95.94, QED 0.53
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1c[nH]c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: DVUOBYHDRNNVRL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 440.91, ALogP 4.92, HBA 4, HBD 2, PSA 88.26, QED 0.46
Compound (SMILES): O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey: HBERWFGHPLUBCX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 415.9, ALogP 4.62, HBA 3, HBD 2, PSA 83.47, QED 0.59
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CC(N)=O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: KJOZYVIMJFAVAN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 497.96, ALogP 3.87, HBA 6, HBD 2, PSA 120.49, QED 0.4
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CC(=O)O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: AMGXWMAYTPNYDQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 11119.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 498.94, ALogP 4.47, HBA 6, HBD 2, PSA 114.7, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CCC(=O)O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: AJANJGKVPWLHSL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 9021.7 nM (pChEMBL 5.039999961853027)
Descriptors: MW 512.97, ALogP 4.86, HBA 6, HBD 2, PSA 114.7, QED 0.35
Compound (SMILES): COc1ccc(Cl)cc1[S+]([O-])c1c[nH]c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: FWCZTAVRUUWLBW-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 424.91, ALogP 5.25, HBA 3, HBD 2, PSA 77.18, QED 0.43
Compound (SMILES): COc1ccc(Cl)cc1CN(C(=O)C(C)C)c1cc(C(=O)Nc2nc(CC(=O)O)cs2)ccc1Cl
InChIKey: CPUBBBMGPJDLMI-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2561.9 nM (pChEMBL 5.590000152587891)
Descriptors: MW 536.44, ALogP 5.53, HBA 6, HBD 2, PSA 108.83, QED 0.37
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: GYDPKHXPGFTSDC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 447 nM (pChEMBL 6.349999904632568)
Descriptors: MW 514.99, ALogP 4.29, HBA 5, HBD 2, PSA 113.01, QED 0.49
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c(C)cc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: AZYTVKADYFLWQB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 522, ALogP 3.74, HBA 7, HBD 2, PSA 125.9, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCCc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: JPWIEHOGCFFYRQ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 601.8 nM (pChEMBL 6.21999979019165)
Descriptors: MW 536.03, ALogP 4.22, HBA 7, HBD 2, PSA 125.9, QED 0.46
Compound (SMILES): COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: MHKGSTKSSIONSS-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2401.5 nM (pChEMBL 5.619999885559082)
Descriptors: MW 501.59, ALogP 3.48, HBA 7, HBD 2, PSA 125.9, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1/C=C/C(=O)O
InChIKey: GCOZSBWIAFKZQX-FMIVXFBMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 83098.9 nM (pChEMBL 4.079999923706055)
Descriptors: MW 486.93, ALogP 4.5, HBA 5, HBD 3, PSA 121.8, QED 0.4
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cc21
InChIKey: SCEXJIWXZQCHQB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 38015.5 nM (pChEMBL 4.420000076293945)
Descriptors: MW 492.9, ALogP 2.43, HBA 8, HBD 2, PSA 140.06, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc2c1OCO2
InChIKey: JUJRMDZBUGOSTC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1159.8 nM (pChEMBL 5.940000057220459)
Descriptors: MW 539.98, ALogP 3.24, HBA 9, HBD 2, PSA 144.36, QED 0.44
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc2c1OCCO2
InChIKey: AIYTYTJQWAVDKR-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 4053.9 nM (pChEMBL 5.389999866485596)
Descriptors: MW 532.96, ALogP 3.9, HBA 7, HBD 2, PSA 131.47, QED 0.47
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc2c1OCCO2
InChIKey: DJWVYXYXJFWWQZ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1559.1 nM (pChEMBL 5.809999942779541)
Descriptors: MW 554, ALogP 3.28, HBA 9, HBD 2, PSA 144.36, QED 0.43
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CSC)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: BKMXUQWYNXFYSK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 501.03, ALogP 5.71, HBA 6, HBD 1, PSA 77.4, QED 0.35
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc2c1OCO2
InChIKey: QCAIATYUPWBWBC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1751.3 nM (pChEMBL 5.760000228881836)
Descriptors: MW 518.93, ALogP 3.85, HBA 7, HBD 2, PSA 131.47, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CCCC(=O)O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: POMUHZKFRFXXJO-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 12034.3 nM (pChEMBL 4.920000076293945)
Descriptors: MW 527, ALogP 5.25, HBA 6, HBD 2, PSA 114.7, QED 0.31
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CCO)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: NCWONHRTAACBPJ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 484.96, ALogP 4.38, HBA 6, HBD 2, PSA 97.63, QED 0.41
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CCCO)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: UCTOSKYSRZCOBW-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 498.99, ALogP 4.77, HBA 6, HBD 2, PSA 97.63, QED 0.36
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(CS(C)(=O)=O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: IGJWPRADFYIFEG-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 533.03, ALogP 4.39, HBA 7, HBD 1, PSA 111.54, QED 0.38
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C(=O)O)Oc2ccc(C(=O)Nc3ccccc3)cc21
InChIKey: MRGASHUHZSZKCI-FQEVSTJZSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 16860.6 nM (pChEMBL 4.769999980926514)
Descriptors: MW 502.93, ALogP 3.64, HBA 6, HBD 2, PSA 122.24, QED 0.53
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C(=O)O)Oc2ccc(C(=O)Nc3ccccc3)cc21
InChIKey: MRGASHUHZSZKCI-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 31875 nM (pChEMBL 4.5)
Descriptors: MW 502.93, ALogP 3.64, HBA 6, HBD 2, PSA 122.24, QED 0.53
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cc21
InChIKey: OLHXVXIIZXIVFH-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 8096 nM (pChEMBL 5.090000152587891)
Descriptors: MW 490.93, ALogP 2.63, HBA 7, HBD 2, PSA 130.83, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1nn(CC(=O)O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: NSHLTXCVINMXAE-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 39283.4 nM (pChEMBL 4.409999847412109)
Descriptors: MW 499.93, ALogP 3.87, HBA 7, HBD 2, PSA 127.59, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1nn(CCC(=O)O)c2ccc(C(=O)Nc3ccccc3)cc12
InChIKey: XXETWHKBTUWLQK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 49428.3 nM (pChEMBL 4.309999942779541)
Descriptors: MW 513.96, ALogP 4.26, HBA 7, HBD 2, PSA 127.59, QED 0.36
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccn(CC(=O)O)n3)cc21
InChIKey: NBZDTJGOTQUVAC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 9887.3 nM (pChEMBL 5)
Descriptors: MW 506.92, ALogP 2.47, HBA 8, HBD 2, PSA 140.06, QED 0.5
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1nn(C)c2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc12
InChIKey: KRRWQSJRPVXWCX-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1684.1 nM (pChEMBL 5.769999980926514)
Descriptors: MW 534.38, ALogP 4.67, HBA 7, HBD 2, PSA 127.59, QED 0.37
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2n[nH]c3ccc(C(=O)Nc4ccccc4)cc23)c1
InChIKey: YEVDWRJNLWOYSN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 405.48, ALogP 4.26, HBA 4, HBD 2, PSA 91.92, QED 0.53
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2nn(CC(=O)O)c3ccc(C(=O)Nc4ccccc4)cc23)c1
InChIKey: DIASYCYUIVCXKK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 8829.2 nM (pChEMBL 5.050000190734863)
Descriptors: MW 463.52, ALogP 3.82, HBA 6, HBD 2, PSA 118.36, QED 0.45
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2nn(CCC(=O)O)c3ccc(C(=O)Nc4ccccc4)cc23)c1
InChIKey: GULCGVXWRSHQRM-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 477.54, ALogP 4.21, HBA 6, HBD 2, PSA 118.36, QED 0.41
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2n[nH]c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc23)c1
InChIKey: UKESESCPFXDHLN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1246.4 nM (pChEMBL 5.900000095367432)
Descriptors: MW 449.49, ALogP 3.96, HBA 5, HBD 3, PSA 129.22, QED 0.42
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)c2nn(C)c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc23)c1
InChIKey: WIGCXEHYECGMJM-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2574.7 nM (pChEMBL 5.590000152587891)
Descriptors: MW 463.52, ALogP 3.97, HBA 6, HBD 2, PSA 118.36, QED 0.46
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CC(C(=O)O)Cc2ccc(C(=O)Nc3ccccc3)cc21
InChIKey: RJUPEMVWYXHOMS-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 5895 nM (pChEMBL 5.230000019073486)
Descriptors: MW 500.96, ALogP 4.05, HBA 5, HBD 2, PSA 113.01, QED 0.53
Compound (SMILES): Cc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n(C)n1
InChIKey: XICJCDGEJSUKCI-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 380.45, ALogP 2.65, HBA 6, HBD 1, PSA 88.93, QED 0.74
Compound (SMILES): O=C(O)c1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)c1
InChIKey: LYRSLKXGTGAITP-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 95888.2 nM (pChEMBL 4.019999980926514)
Descriptors: MW 422.51, ALogP 4.64, HBA 5, HBD 1, PSA 79.73, QED 0.63
Compound (SMILES): CS(=O)(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: BEOGUFGMUFJKJR-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 6121.6 nM (pChEMBL 5.210000038146973)
Descriptors: MW 456.59, ALogP 4.35, HBA 6, HBD 0, PSA 76.57, QED 0.55
Compound (SMILES): COC(=O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIKey: RYOHLMHLHSGVEP-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 7619.3 nM (pChEMBL 5.119999885559082)
Descriptors: MW 437.52, ALogP 4.12, HBA 7, HBD 0, PSA 81.62, QED 0.54
Compound (SMILES): O=C1Cc2cc(-c3csc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIKey: PTQCXGJMSZCDQW-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 433.53, ALogP 4.44, HBA 5, HBD 1, PSA 71.53, QED 0.65
Compound (SMILES): CC(=O)Nc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: XDDLUKKQWPIFMZ-JOCHJYFZSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 435.55, ALogP 4.9, HBA 5, HBD 1, PSA 71.53, QED 0.6
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)cs1
InChIKey: LHGZCIQTHRRGMJ-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 34524.9 nM (pChEMBL 4.460000038146973)
Descriptors: MW 394.5, ALogP 4.65, HBA 5, HBD 1, PSA 62.66, QED 0.68
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3c(c2)OCO3)cs1
InChIKey: VXSBWVSQPKPQMR-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 422.51, ALogP 4.67, HBA 6, HBD 0, PSA 60.89, QED 0.6
Compound (SMILES): N#Cc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: YJGXHNXYHSBYDO-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 403.51, ALogP 4.81, HBA 5, HBD 0, PSA 66.22, QED 0.61
Compound (SMILES): N#Cc1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: ZNMMBZHPEMZRNC-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 8102.7 nM (pChEMBL 5.090000152587891)
Descriptors: MW 403.51, ALogP 4.81, HBA 5, HBD 0, PSA 66.22, QED 0.61
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)nc2)cs1
InChIKey: CMFXZVMCJZPDBH-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 413.93, ALogP 4.99, HBA 5, HBD 0, PSA 55.32, QED 0.55
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(Br)s2)cs1
InChIKey: JPERMPKPWQPJBP-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 5655.5 nM (pChEMBL 5.25)
Descriptors: MW 463.42, ALogP 5.77, HBA 5, HBD 0, PSA 42.43, QED 0.48
Compound (SMILES): O=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIKey: CJFFGATUESSIRW-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 19488.4 nM (pChEMBL 4.710000038146973)
Descriptors: MW 423.49, ALogP 4.04, HBA 6, HBD 1, PSA 92.62, QED 0.64
Compound (SMILES): NC(=O)c1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: BOAJFRPORILFEL-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 421.52, ALogP 4.04, HBA 5, HBD 1, PSA 85.52, QED 0.65
Compound (SMILES): CC(=O)Nc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIKey: JYLJLCYOMKXDOT-JOCHJYFZSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 435.55, ALogP 4.9, HBA 5, HBD 1, PSA 71.53, QED 0.6
Compound (SMILES): O=C(COc1ccccc1)NS(=O)(=O)Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIKey: VDXQKXRNQCIGCM-MUUNZHRXSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2291.8 nM (pChEMBL 5.639999866485596)
Descriptors: MW 605.74, ALogP 4.97, HBA 8, HBD 1, PSA 114.9, QED 0.26
Compound (SMILES): O=C(COc1ccccc1)OCc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)ccn1
InChIKey: FNYUKZIQSAXWAZ-HHHXNRCGSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 17790.7 nM (pChEMBL 4.75)
Descriptors: MW 543.65, ALogP 5.46, HBA 8, HBD 0, PSA 90.85, QED 0.25
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2n[nH]c3ccccc23)n1
InChIKey: PQGIBCBRNQMWHR-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 77348.6 nM (pChEMBL 4.110000133514404)
Descriptors: MW 418.52, ALogP 4.82, HBA 5, HBD 1, PSA 71.11, QED 0.5
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(C(F)(F)F)nc2)n1
InChIKey: RDAVNELCVURVQQ-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 447.48, ALogP 5.36, HBA 5, HBD 0, PSA 55.32, QED 0.53
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(C(F)(F)F)cn2)n1
InChIKey: GMUOPGMWJPEKSD-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 447.48, ALogP 5.36, HBA 5, HBD 0, PSA 55.32, QED 0.53
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cnccn2)n1
InChIKey: RHUHUOHVJHBDQF-GOSISDBHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 59766.3 nM (pChEMBL 4.21999979019165)
Descriptors: MW 380.47, ALogP 3.73, HBA 6, HBD 0, PSA 68.21, QED 0.67
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(Cc2ccc(Cl)cc2)n1
InChIKey: OHPWLDSXEKHFNR-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 426.97, ALogP 5.52, HBA 4, HBD 0, PSA 42.43, QED 0.52
Compound (SMILES): Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIKey: APMFQFJKYPVNHQ-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 35986.6 nM (pChEMBL 4.440000057220459)
Descriptors: MW 393.51, ALogP 4.65, HBA 5, HBD 0, PSA 55.32, QED 0.63
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cccnc2)n1
InChIKey: LTBFMXNOPRCNNW-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 4158.6 nM (pChEMBL 5.380000114440918)
Descriptors: MW 379.49, ALogP 4.34, HBA 5, HBD 0, PSA 55.32, QED 0.66
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccncc2)n1
InChIKey: KDRVJTCZWMDLCY-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 379.49, ALogP 4.34, HBA 5, HBD 0, PSA 55.32, QED 0.66
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(C2COc3ccccc3O2)n1
InChIKey: OZIMEXOBQSUTGI-LCQOSCCDSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 436.53, ALogP 4.79, HBA 6, HBD 0, PSA 60.89, QED 0.58
Compound (SMILES): COc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIKey: LDISUDCYHFQZJV-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 409.51, ALogP 4.35, HBA 6, HBD 0, PSA 64.55, QED 0.61
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccccn2)n1
InChIKey: KUWOKUCUQBIRMV-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 379.49, ALogP 4.34, HBA 5, HBD 0, PSA 55.32, QED 0.66
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(F)cc2)n1
InChIKey: MUOIQSQXHCNIFW-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 396.49, ALogP 5.08, HBA 4, HBD 0, PSA 42.43, QED 0.6
Compound (SMILES): COC(=O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIKey: JFHRCRKMXOLHDK-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 436.53, ALogP 4.73, HBA 6, HBD 0, PSA 68.73, QED 0.52
Compound (SMILES): O=C(O)c1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cc1
InChIKey: PYTGLHXTDRPBMK-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 422.51, ALogP 4.64, HBA 5, HBD 1, PSA 79.73, QED 0.63
Compound (SMILES): COC(=O)c1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)sc2C)c1
InChIKey: CONDXDOYLWVMQI-OAQYLSRUSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 450.56, ALogP 5.04, HBA 6, HBD 0, PSA 68.73, QED 0.49
Compound (SMILES): Cc1sc([C@H]2CCCCN2C(=O)COc2ccccc2)nc1-c1cccc(C(=O)O)c1
InChIKey: MDIGXDJYDHFNQA-HXUWFJFHSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 30289.8 nM (pChEMBL 4.519999980926514)
Descriptors: MW 436.53, ALogP 4.95, HBA 5, HBD 1, PSA 79.73, QED 0.59
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc2c1OCO2
InChIKey: DHXRXBIYKZVFEZ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 857.4 nM (pChEMBL 6.070000171661377)
Descriptors: MW 532.96, ALogP 3.78, HBA 7, HBD 2, PSA 131.47, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ncc(CC(=O)O)s2)cc2c1OCO2
InChIKey: UKEQFZDEPIXVIC-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1210.2 nM (pChEMBL 5.920000076293945)
Descriptors: MW 539.98, ALogP 3.24, HBA 9, HBD 2, PSA 144.36, QED 0.44
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc2c1OCO2
InChIKey: JXRGVXKUGJOLRA-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 4261.1 nM (pChEMBL 5.369999885559082)
Descriptors: MW 522.92, ALogP 2.44, HBA 9, HBD 2, PSA 149.29, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(Cl)cc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: FFPHQKROZGPQLB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1179 nM (pChEMBL 5.929999828338623)
Descriptors: MW 558.42, ALogP 3.93, HBA 8, HBD 2, PSA 135.13, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(Cl)cc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: VUSNECGIOMMHBL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1090.5 nM (pChEMBL 5.960000038146973)
Descriptors: MW 551.4, ALogP 4.47, HBA 6, HBD 2, PSA 122.24, QED 0.44
Compound (SMILES): CCN(c1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: FWIWAKBQHHJSKE-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1132.6 nM (pChEMBL 5.949999809265137)
Descriptors: MW 554, ALogP 3.63, HBA 9, HBD 2, PSA 144.36, QED 0.41
Compound (SMILES): CCN(c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: YNHABKGQSBANSL-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2800.6 nM (pChEMBL 5.550000190734863)
Descriptors: MW 546.99, ALogP 4.17, HBA 7, HBD 2, PSA 131.47, QED 0.41
Compound (SMILES): CCN(c1cc(C(=O)Nc2ncc(CC(=O)O)s2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: WQTMOAVUHSFNBV-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 619.9 nM (pChEMBL 6.210000038146973)
Descriptors: MW 554, ALogP 3.63, HBA 9, HBD 2, PSA 144.36, QED 0.41
Compound (SMILES): CCN(c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: XIIPVRRCXGPOCW-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1370.1 nM (pChEMBL 5.860000133514404)
Descriptors: MW 536.95, ALogP 2.83, HBA 9, HBD 2, PSA 149.29, QED 0.42
Compound (SMILES): CCCN(c1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: XWCSJLGRBLQNHJ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 622.2 nM (pChEMBL 6.210000038146973)
Descriptors: MW 568.03, ALogP 4.02, HBA 9, HBD 2, PSA 144.36, QED 0.37
Compound (SMILES): CCCN(c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: MDIAKHAGKXDEMP-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 954.9 nM (pChEMBL 6.019999980926514)
Descriptors: MW 561.01, ALogP 4.56, HBA 7, HBD 2, PSA 131.47, QED 0.37
Compound (SMILES): CCCN(c1cc(C(=O)Nc2ncc(CC(=O)O)s2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: REERKRBKYBMTKU-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 703.4 nM (pChEMBL 6.150000095367432)
Descriptors: MW 568.03, ALogP 4.02, HBA 9, HBD 2, PSA 144.36, QED 0.37
Compound (SMILES): CCCN(c1cc(C(=O)Nc2ccn(CC(=O)O)n2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC
InChIKey: QYGSMOCMCQQATA-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1764.1 nM (pChEMBL 5.75)
Descriptors: MW 550.98, ALogP 3.22, HBA 9, HBD 2, PSA 149.29, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(c1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc2c1OCO2)C(C)C
InChIKey: UNSZGIKIMRHGAF-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2970.5 nM (pChEMBL 5.53000020980835)
Descriptors: MW 568.03, ALogP 4.02, HBA 9, HBD 2, PSA 144.36, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N(c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)cc2c1OCO2)C(C)C
InChIKey: MZTWYVYWNVALLY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 597.9 nM (pChEMBL 6.21999979019165)
Descriptors: MW 561.01, ALogP 4.56, HBA 7, HBD 2, PSA 131.47, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(OC)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: SXGADSXREBROJH-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 28991.4 nM (pChEMBL 4.539999961853027)
Descriptors: MW 518.93, ALogP 3.85, HBA 7, HBD 2, PSA 131.47, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(F)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: KSTXKVCLUHCXEM-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 17638.9 nM (pChEMBL 4.75)
Descriptors: MW 506.9, ALogP 3.98, HBA 6, HBD 2, PSA 122.24, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(F)cc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: FREINQQSLWFFGA-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 4933.4 nM (pChEMBL 5.309999942779541)
Descriptors: MW 524.89, ALogP 4.12, HBA 6, HBD 2, PSA 122.24, QED 0.5
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COc2c(F)cc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: XUVMVCWJZVGJPV-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2727.5 nM (pChEMBL 5.559999942779541)
Descriptors: MW 541.34, ALogP 4.64, HBA 6, HBD 2, PSA 122.24, QED 0.47
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CC(C)c2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: WFZHOHMAJOKBNB-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1176.5 nM (pChEMBL 5.929999828338623)
Descriptors: MW 518.95, ALogP 4.75, HBA 5, HBD 2, PSA 113.01, QED 0.49
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CC(C)c2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: OYANQOAHFBUOSN-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1310.1 nM (pChEMBL 5.880000114440918)
Descriptors: MW 535.41, ALogP 5.26, HBA 5, HBD 2, PSA 113.01, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CC(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: DXSQSQNMVPUGHR-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2238.6 nM (pChEMBL 5.650000095367432)
Descriptors: MW 500.96, ALogP 4.61, HBA 5, HBD 2, PSA 113.01, QED 0.51
Compound (SMILES): O=C(O)COc1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: YQXLHIAMLBLKRU-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 45928.5 nM (pChEMBL 4.340000152587891)
Descriptors: MW 437.45, ALogP 3.33, HBA 7, HBD 1, PSA 114.99, QED 0.57
Compound (SMILES): NC(=O)COc1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: JAFDUBDGZXGAKP-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 436.47, ALogP 2.73, HBA 7, HBD 1, PSA 120.78, QED 0.58
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(F)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: JUNJUHOLUZPNKD-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 520.92, ALogP 4.03, HBA 6, HBD 2, PSA 122.24, QED 0.5
Compound (SMILES): N#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cc1
InChIKey: FSWNXSFRIJUIPH-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 388.43, ALogP 3.74, HBA 6, HBD 0, PSA 92.25, QED 0.66
Compound (SMILES): N#Cc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1
InChIKey: GMCFVLJVQVQSEW-LJQANCHMSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 388.43, ALogP 3.74, HBA 6, HBD 0, PSA 92.25, QED 0.66
Compound (SMILES): Nc1cncc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)c1
InChIKey: MKSUWVMQIHHZTG-QGZVFWFLSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 379.42, ALogP 2.85, HBA 7, HBD 1, PSA 107.37, QED 0.73
Compound (SMILES): COc1ccc(Cl)cc1Sc1c[nH]c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc12
InChIKey: CXAAKRBUBHHMKK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2523.8 nM (pChEMBL 5.599999904632568)
Descriptors: MW 452.92, ALogP 5.93, HBA 4, HBD 3, PSA 91.42, QED 0.34
Compound (SMILES): COc1ccc(Cl)cc1Sc1cn(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc12
InChIKey: BXDKYMNSMCAQDY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 466.95, ALogP 5.94, HBA 5, HBD 2, PSA 80.56, QED 0.37
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)c1cn(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc12
InChIKey: UWOCSEYUTKKVBJ-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2318.1 nM (pChEMBL 5.630000114440918)
Descriptors: MW 498.94, ALogP 4.62, HBA 6, HBD 2, PSA 114.7, QED 0.4
Compound (SMILES): Cc1ncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c(=O)[nH]1
InChIKey: NNCJXHMGZJBWOX-MRXNPFEDSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 395.42, ALogP 2.26, HBA 7, HBD 1, PSA 114.21, QED 0.7
Compound (SMILES): NS(=O)(=O)c1ccc(-c2noc(C3C4CC4CN3C(=O)COc3ccccc3)n2)cc1
InChIKey: HMEVXKJAJJNSOM-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 440.48, ALogP 1.98, HBA 7, HBD 1, PSA 128.62, QED 0.62
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(F)cc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: YNLRYSVQHXYRFR-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 4559.6 nM (pChEMBL 5.340000152587891)
Descriptors: MW 538.91, ALogP 4.17, HBA 6, HBD 2, PSA 122.24, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(F)cc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: AODMJCWOUZSACY-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 5105.2 nM (pChEMBL 5.289999961853027)
Descriptors: MW 555.37, ALogP 4.68, HBA 6, HBD 2, PSA 122.24, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(Cl)cc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: DVQPXYDYVJVIKK-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2610.9 nM (pChEMBL 5.579999923706055)
Descriptors: MW 537.38, ALogP 4.54, HBA 6, HBD 2, PSA 122.24, QED 0.47