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Assay Detail

CHEMBL666159

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ADMET
Concentration required to inhibit cytochrome P450 1A2.
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Confidence 8 — Homologous single protein target
Curated By Expert

Target

Cytochrome P450 1A2 (CHEMBL3356)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors.
Nakamura T, Sato M, Kakinuma H, Miyata N, Taniguchi K, Bando K, Koda A, Kameo K.
J Med Chem (2003) 46 : 5416 -5427
PubMed 14640550 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 29 5.69 8.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL112532 1 8.15
CHEMBL150799 1 6.92
CHEMBL345544 1 6.55
CHEMBL151207 1 6.41
CHEMBL267865 1 6.34
CHEMBL150653 1 6.31
CHEMBL151449 1 6.24
CHEMBL151170 1 5.96
CHEMBL151354 1 5.90
CHEMBL433737 1 5.59
CHEMBL150681 1 5.49
CHEMBL149750 1 5.25
CHEMBL359116 1 5.23
CHEMBL358214 1 5.09
CHEMBL347303 1 5.06
CHEMBL348263 1 5.00
CHEMBL422858 1 4.85
CHEMBL356594 1 4.68
CHEMBL150999 1 4.59
CHEMBL151037 1 4.16
CHEMBL151038 1 -
CHEMBL150146 1 -
CHEMBL358880 1 -
CHEMBL151974 1 -
CHEMBL150278 1 -
CHEMBL358216 1 -
CHEMBL151280 1 -
CHEMBL434317 1 -
CHEMBL151646 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL112532 IC50 = 7.0 nM 8.15
CHEMBL150799 IC50 = 120.0 nM 6.92
CHEMBL345544 IC50 = 283.0 nM 6.55
CHEMBL151207 IC50 = 386.0 nM 6.41
CHEMBL267865 IC50 = 461.0 nM 6.34
CHEMBL150653 IC50 = 487.0 nM 6.31
CHEMBL151449 IC50 = 570.0 nM 6.24
CHEMBL151170 IC50 = 1100.0 nM 5.96
CHEMBL151354 IC50 = 1260.0 nM 5.90
CHEMBL433737 IC50 = 2550.0 nM 5.59
CHEMBL150681 IC50 = 3230.0 nM 5.49
CHEMBL149750 IC50 = 5650.0 nM 5.25
CHEMBL359116 IC50 = 5850.0 nM 5.23
CHEMBL358214 IC50 = 8120.0 nM 5.09
CHEMBL347303 IC50 = 8650.0 nM 5.06
CHEMBL348263 IC50 = 9980.0 nM 5.00
CHEMBL422858 IC50 = 14200.0 nM 4.85
CHEMBL356594 IC50 = 21100.0 nM 4.68
CHEMBL150999 IC50 = 25500.0 nM 4.59
CHEMBL151037 IC50 = 69900.0 nM 4.16
CHEMBL151038 IC50 < 46.0 nM -
CHEMBL150146 IC50 > 46.0 nM -
CHEMBL358880 IC50 < 46.0 nM -
CHEMBL151974 IC50 > 46.0 nM -
CHEMBL150278 IC50 > 100000.0 nM -
CHEMBL358216 IC50 < 46.0 nM -
CHEMBL151280 IC50 < 46.0 nM -
CHEMBL434317 IC50 < 46.0 nM -
CHEMBL151646 IC50 < 46.0 nM -