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Assay Detail

CHEMBL666157

Review assay metadata, readout intent, target linkage, and publication context from the same page.

ADMET
Inhibition of heterologously expressed human cytochrome P450 1A2.
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

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

Publication

Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent.
Bromidge SM, Dabbs S, Davies DT, Davies S, Duckworth DM, Forbes IT, Gaster LM, Ham P, Jones GE, King FD, Mulholland KR, Saunders DV, Wyman PA, Blaney FE, Clarke SE, Blackburn TP, Holland V, Kennett GA, Lightowler S, Middlemiss DN, Trail B, Riley GJ, Wood MD.
J Med Chem (2000) 43 : 1123 -1134
PubMed 10737744 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 22 5.30 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL14352 1 7.70
CHEMBL14864 1 6.70
CHEMBL417082 1 5.70
CHEMBL14652 1 5.58
CHEMBL276571 1 5.52
CHEMBL14548 1 5.52
CHEMBL14726 1 5.40
CHEMBL14255 1 5.40
CHEMBL416896 1 5.22
CHEMBL14606 1 5.16
CHEMBL277111 1 5.16
CHEMBL14368 1 5.16
CHEMBL273345 1 5.10
CHEMBL14362 1 4.96
CHEMBL14276 1 4.55
CHEMBL14863 1 4.30
CHEMBL14469 1 4.14
CHEMBL14345 1 4.11
CHEMBL278267 1 -
CHEMBL14111 1 -
CHEMBL280297 1 -
CHEMBL14374 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL14352 IC50 = 20.0 nM 7.70
CHEMBL14864 IC50 = 200.0 nM 6.70
CHEMBL417082 IC50 = 2000.0 nM 5.70
CHEMBL14652 IC50 = 2600.0 nM 5.58
CHEMBL276571 IC50 = 3000.0 nM 5.52
CHEMBL14548 IC50 = 3000.0 nM 5.52
CHEMBL14726 IC50 = 4000.0 nM 5.40
CHEMBL14255 IC50 = 4000.0 nM 5.40
CHEMBL416896 IC50 = 6000.0 nM 5.22
CHEMBL14606 IC50 = 7000.0 nM 5.16
CHEMBL277111 IC50 = 7000.0 nM 5.16
CHEMBL14368 IC50 = 7000.0 nM 5.16
CHEMBL273345 IC50 = 8000.0 nM 5.10
CHEMBL14362 IC50 = 11000.0 nM 4.96
CHEMBL14276 IC50 = 28000.0 nM 4.55
CHEMBL14863 IC50 = 50000.0 nM 4.30
CHEMBL14469 IC50 = 73000.0 nM 4.14
CHEMBL14345 IC50 = 77000.0 nM 4.11
CHEMBL278267 IC50 = - nM -
CHEMBL14111 IC50 > 100000.0 nM -
CHEMBL280297 IC50 = - nM -
CHEMBL14374 IC50 > 100000.0 nM -