lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21
InChIKey: BFHJSGIUHSWCJX-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 = 82168.5 nM (pChEMBL 4.079999923706055)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 11773 nM (pChEMBL 4.929999828338623)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 22589.3 nM (pChEMBL 4.650000095367432)
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, 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 433.51, 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, 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 447.54, 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 6171 nM (pChEMBL 5.210000038146973)
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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 96967.3 nM (pChEMBL 4.010000228881836)
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, 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 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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 5493.2 nM (pChEMBL 5.260000228881836)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 51797.1 nM (pChEMBL 4.289999961853027)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2278.7 nM (pChEMBL 5.639999866485596)
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, 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 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, 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 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, 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 395.43, 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, 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 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, 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 380.4, 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 39170.1 nM (pChEMBL 4.409999847412109)
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, 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 378.44, 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2076.5 nM (pChEMBL 5.679999828338623)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 14479.7 nM (pChEMBL 4.840000152587891)
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, 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 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, 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 409.4, 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, 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 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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 747.9 nM (pChEMBL 6.130000114440918)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 3679.6 nM (pChEMBL 5.429999828338623)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 6919.1 nM (pChEMBL 5.159999847412109)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2713.5 nM (pChEMBL 5.570000171661377)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 5460.5 nM (pChEMBL 5.260000228881836)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 3531.1 nM (pChEMBL 5.449999809265137)
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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 30617.5 nM (pChEMBL 4.510000228881836)
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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 6416 nM (pChEMBL 5.190000057220459)
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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 9100.1 nM (pChEMBL 5.039999961853027)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 3014.1 nM (pChEMBL 5.519999980926514)
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, 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 409.4, 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, 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 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, 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 421.46, 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, 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 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, 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 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, 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 447.5, 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 38987.5 nM (pChEMBL 4.409999847412109)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 613.8 nM (pChEMBL 6.210000038146973)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 552.9 nM (pChEMBL 6.260000228881836)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 792.4 nM (pChEMBL 6.099999904632568)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 991.7 nM (pChEMBL 6)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 32441.2 nM (pChEMBL 4.489999771118164)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2126.9 nM (pChEMBL 5.670000076293945)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 1305.7 nM (pChEMBL 5.880000114440918)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2650.2 nM (pChEMBL 5.579999923706055)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 26498.2 nM (pChEMBL 4.579999923706055)
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, 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 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, 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 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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 535.2 nM (pChEMBL 6.269999980926514)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 2173.9 nM (pChEMBL 5.659999847412109)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 235.3 nM (pChEMBL 6.630000114440918)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 202 nM (pChEMBL 6.699999809265137)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 827.2 nM (pChEMBL 6.079999923706055)
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, 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 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, 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 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 1, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 423.3 nM (pChEMBL 6.369999885559082)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 10351 nM (pChEMBL 4.989999771118164)
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, muscle isoform (SINGLE PROTEIN), Homo sapiens
UniProt: Q92523
Assay: SUPPLEMENTARY: Inhibition of Carnitine palmitoyltransferase 1, muscle isoform
Measurement: IC50 = 43423.1 nM (pChEMBL 4.360000133514404)
Descriptors: MW 433.51, ALogP 3.57, HBA 6, HBD 1, PSA 89.35, QED 0.64
Compound (SMILES): Cn1cc(Sc2cccc(Cl)c2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIKey: NLWIUUOHCPCLPL-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 = 1132.8 nM (pChEMBL 5.949999809265137)
Descriptors: MW 436.92, ALogP 5.93, HBA 4, HBD 2, PSA 71.33, QED 0.41
Compound (SMILES): Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
InChIKey: JDMIOGKLXFMKPG-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 = 920 nM (pChEMBL 6.039999961853027)
Descriptors: MW 468.92, ALogP 4.62, HBA 5, HBD 2, PSA 105.47, QED 0.44
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnc3[nH]cnc3c2)n1
InChIKey: DFBZYVPBKLWTSY-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 = 35530.7 nM (pChEMBL 4.449999809265137)
Descriptors: MW 404.43, ALogP 3.14, HBA 7, HBD 1, PSA 110.03, QED 0.54
Compound (SMILES): CC(=O)Nc1cccc(C#C[C@H]2CCCCN2C(=O)COc2ccccc2)c1
InChIKey: ILCLSBUUEZMURH-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 376.46, ALogP 3.46, HBA 3, HBD 1, PSA 58.64, QED 0.83
Compound (SMILES): CC(=O)Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIKey: DVBBKVBBAJFIJW-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 421.46, ALogP 3.22, HBA 7, HBD 1, PSA 110.45, QED 0.65
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)CSc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: ADKIKFAIIOUYLJ-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 = 1723.9 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.99, ALogP 4.32, HBA 7, HBD 2, PSA 108.83, QED 0.49
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: WWGQATFYPYHRAM-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 = 38567.25 nM (pChEMBL 4.409999847412109)
Descriptors: MW 502.93, ALogP 3.98, HBA 6, HBD 2, PSA 122.24, QED 0.52
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COCc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: XPWYEYAPRZVTOU-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 = 3282.1 nM (pChEMBL 5.480000019073486)
Descriptors: MW 516.96, ALogP 3.91, HBA 6, HBD 2, PSA 122.24, QED 0.49
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1COCc2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: IDWORKSBLMUSAR-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 = 1378.2 nM (pChEMBL 5.860000133514404)
Descriptors: MW 523.98, ALogP 3.37, HBA 8, HBD 2, PSA 135.13, QED 0.48
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(C2(C(F)(F)F)CC2)n1
InChIKey: LICBEYZKEYJFCB-CQSZACIVSA-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 = 29695.6 nM (pChEMBL 4.53000020980835)
Descriptors: MW 395.38, ALogP 3.8, HBA 5, HBD 0, PSA 68.46, QED 0.77
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cc(Cl)nnc2O)n1
InChIKey: WISGNCXVWCUMNG-CQSZACIVSA-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 = 72922.8 nM (pChEMBL 4.139999866485596)
Descriptors: MW 415.84, ALogP 3.02, HBA 8, HBD 1, PSA 114.47, QED 0.68
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3nccs3)cc21
InChIKey: CVVLZYUDGBRIJE-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 457.94, ALogP 5.45, HBA 6, HBD 1, PSA 80.76, QED 0.55
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
InChIKey: JQTNJWBQTWQHRX-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 447.45, ALogP 2.4, HBA 7, HBD 2, PSA 134.18, QED 0.45
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nccn3c2)no1
InChIKey: YCUOUZLXXPFGML-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 = 78141.5 nM (pChEMBL 4.110000133514404)
Descriptors: MW 403.44, ALogP 3.52, HBA 7, HBD 0, PSA 85.76, QED 0.51
Compound (SMILES): O=C1COc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1
InChIKey: FGNVSMVXBSTFCT-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 = 80804.6 nM (pChEMBL 4.090000152587891)
Descriptors: MW 434.45, ALogP 3.2, HBA 7, HBD 1, PSA 106.79, QED 0.66
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccccc2)n1
InChIKey: NPEFVQLJZKNUJI-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 363.42, ALogP 2.79, HBA 6, HBD 0, PSA 73.14, QED 0.7
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1nnn(-c2ccc(F)cc2)n1
InChIKey: OHGFFELHMRYHAC-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 381.41, ALogP 2.93, HBA 6, HBD 0, PSA 73.14, QED 0.68
Compound (SMILES): COc1ccc(-n2nnc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIKey: INHQBWIKOPKMKQ-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 393.45, ALogP 2.8, HBA 7, HBD 0, PSA 82.37, QED 0.64
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CC[S+]([O-])c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21
InChIKey: VKEOKLXXKMQLGB-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 = 17226.5 nM (pChEMBL 4.760000228881836)
Descriptors: MW 535, ALogP 3.62, HBA 6, HBD 2, PSA 136.07, QED 0.46
Compound (SMILES): O=C1CNc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1
InChIKey: XVMSXYMYCDLVLB-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 433.47, ALogP 3.23, HBA 7, HBD 2, PSA 109.59, QED 0.64
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(CCC(=O)O)cc3)cc21
InChIKey: YLPDWBPBKPLHME-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 = 932.4 nM (pChEMBL 6.03000020980835)
Descriptors: MW 530.99, ALogP 4.21, HBA 6, HBD 2, PSA 122.24, QED 0.45
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)CS(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)O)cs3)cc21
InChIKey: JJCNKZBEXUKXJR-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 = 9618.6 nM (pChEMBL 5.019999980926514)
Descriptors: MW 535.99, ALogP 3.01, HBA 8, HBD 2, PSA 142.97, QED 0.47
Compound (SMILES): O=C1COc2ccc(-c3n[nH]c([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1
InChIKey: PGCSDTDTLCOUOY-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 = 94175.5 nM (pChEMBL 4.03000020980835)
Descriptors: MW 433.47, ALogP 2.94, HBA 6, HBD 2, PSA 109.44, QED 0.64
Compound (SMILES): CC(=O)Nc1ccc(F)c(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: LESDIHJDSGZJFQ-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 437.48, ALogP 3.7, HBA 5, HBD 2, PSA 100.21, QED 0.61
Compound (SMILES): Nc1cccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)n1
InChIKey: PXYCKQLKOIHKCS-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 379.42, ALogP 2.85, HBA 7, HBD 1, PSA 107.37, QED 0.73
Compound (SMILES): N#Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)cn1
InChIKey: YBXXVIFGZIITFW-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 389.42, ALogP 3.14, HBA 7, HBD 0, PSA 105.14, QED 0.66
Compound (SMILES): O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc3[nH][nH]c(=O)c23)n1
InChIKey: KIHJJMPKHXZYJQ-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 = 7621.9 nM (pChEMBL 5.119999885559082)
Descriptors: MW 419.44, ALogP 3.04, HBA 6, HBD 2, PSA 117.11, QED 0.51
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3ccc(C(=O)O)c(Cl)c3)cc21
InChIKey: UCZLVGKAERKKCY-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 = 1221.7 nM (pChEMBL 5.909999847412109)
Descriptors: MW 529.38, ALogP 6.34, HBA 5, HBD 2, PSA 105.17, QED 0.39
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3ccc(CC(=O)O)c(Cl)c3)cc21
InChIKey: OYNWSASPALPOTR-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 = 1871 nM (pChEMBL 5.730000019073486)
Descriptors: MW 543.4, ALogP 6.27, HBA 5, HBD 2, PSA 105.17, QED 0.36
Compound (SMILES): Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIKey: RJWUWXCZZGCGJU-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 379.42, ALogP 2.85, HBA 7, HBD 1, PSA 107.37, QED 0.73
Compound (SMILES): COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: BMAPTMIYKBKZEC-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 = 2327.3 nM (pChEMBL 5.630000114440918)
Descriptors: MW 508.96, ALogP 5.62, HBA 5, HBD 2, PSA 105.17, QED 0.43
Compound (SMILES): CC(=O)Nc1cc(F)cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: ZCUSGSRAQJKSMS-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 437.48, ALogP 3.7, HBA 5, HBD 2, PSA 100.21, QED 0.61
Compound (SMILES): CC(=O)Nc1cc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccc1F
InChIKey: SSGWQCRERAHADT-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 437.48, ALogP 3.7, HBA 5, HBD 2, PSA 100.21, QED 0.61
Compound (SMILES): CC(=O)Nc1cc(F)cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIKey: NQQTVSYLGFTXEC-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 438.46, ALogP 3.97, HBA 6, HBD 1, PSA 97.56, QED 0.63
Compound (SMILES): CC(=O)Nc1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccc1F
InChIKey: NATZHBVCVKMXCM-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 438.46, ALogP 3.97, HBA 6, HBD 1, PSA 97.56, QED 0.63
Compound (SMILES): COc1ccc(C)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)c(F)c3)cc21
InChIKey: FOYNBOGOQWMKRA-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 = 2146.2 nM (pChEMBL 5.670000076293945)
Descriptors: MW 500.5, ALogP 3.68, HBA 6, HBD 2, PSA 122.24, QED 0.53
Compound (SMILES): Cc1cccc(S(=O)(=O)N2CCOc3ccc(C(=O)Nc4nc(CC(=O)O)cs4)cc32)c1
InChIKey: ZBDRBXLUQSZHNA-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 = 1080.6 nM (pChEMBL 5.96999979019165)
Descriptors: MW 473.53, ALogP 2.92, HBA 7, HBD 2, PSA 125.9, QED 0.56
Compound (SMILES): O=C(O)Cc1csc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(Cl)c2)CCO3)n1
InChIKey: VFNOEOWWOQMYEZ-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 = 618.1 nM (pChEMBL 6.210000038146973)
Descriptors: MW 493.95, ALogP 3.26, HBA 7, HBD 2, PSA 125.9, QED 0.54
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)N2CCOc3ccc(C(=O)Nc4nc(CC(=O)O)cs4)cc32)c1
InChIKey: ZNCZZVPQSPEHFH-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 = 797.3 nM (pChEMBL 6.099999904632568)
Descriptors: MW 487.56, ALogP 3.23, HBA 7, HBD 2, PSA 125.9, QED 0.55
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(CC(=O)O)cc3)cc21
InChIKey: IJQVXQBLLSMQKR-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 = 1824.2 nM (pChEMBL 5.739999771118164)
Descriptors: MW 514.99, ALogP 4.37, HBA 5, HBD 2, PSA 113.01, QED 0.48
Compound (SMILES): COc1ccc(Cl)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: KKJVVJPCCIQDRK-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 = 2210.7 nM (pChEMBL 5.659999847412109)
Descriptors: MW 498.94, ALogP 4.42, HBA 6, HBD 2, PSA 114.7, QED 0.39
Compound (SMILES): COc1ccc(C)cc1S(=O)(=O)n1ccc2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc21
InChIKey: AWEQSISGEXLRKJ-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 = 1536.4 nM (pChEMBL 5.809999942779541)
Descriptors: MW 478.53, ALogP 4.07, HBA 6, HBD 2, PSA 114.7, QED 0.41
Compound (SMILES): Nc1ccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1
InChIKey: WANYHLKBCOKPQO-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 378.44, ALogP 2.58, HBA 6, HBD 2, PSA 110.02, QED 0.71
Compound (SMILES): Cl.Nc1ccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cn1
InChIKey: DUQAVGSPCDXBFP-PKLMIRHRSA-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 378.44, ALogP 2.58, HBA 6, HBD 2, PSA 110.02, QED 0.71
Compound (SMILES): Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c2cc(C(=O)Nc3nc(CC(=O)O)cs3)ccc21
InChIKey: UXLQUNFCUGTEIN-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 = 438.6 nM (pChEMBL 6.360000133514404)
Descriptors: MW 489.96, ALogP 4, HBA 7, HBD 2, PSA 118.36, QED 0.42
Compound (SMILES): Cc1cc(C)cc(S(=O)(=O)n2ccc3ccc(C(=O)Nc4ccc(CC(=O)O)cc4)cc32)c1
InChIKey: SIJNVSUMUVFRMN-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 = 949.7 nM (pChEMBL 6.019999980926514)
Descriptors: MW 462.53, ALogP 4.37, HBA 5, HBD 2, PSA 105.47, QED 0.44
Compound (SMILES): O=C(O)Cc1ccc(NC(=O)c2ccc3ccn(S(=O)(=O)c4cccc(Cl)c4)c3c2)cc1
InChIKey: XSEKCDWDKMRBBZ-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 = 1347.4 nM (pChEMBL 5.869999885559082)
Descriptors: MW 468.92, ALogP 4.41, HBA 5, HBD 2, PSA 105.47, QED 0.44