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Assay Detail

CHEMBL666015

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

ADMET
Inhibition of human Cytochrome P450 3A4 by macrocycles
9
Total Activities
9
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 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency.
Bell IM, Gallicchio SN, Abrams M, Beese LS, Beshore DC, Bhimnathwala H, Bogusky MJ, Buser CA, Culberson JC, Davide J, Ellis-Hutchings M, Fernandes C, Gibbs JB, Graham SL, Hamilton KA, Hartman GD, Heimbrook DC, Homnick CF, Huber HE, Huff JR, Kassahun K, Koblan KS, Kohl NE, Lobell RB, Lynch JJ, Robinson R, Rodrigues AD, Taylor JS, Walsh ES, Williams TM, Zartman CB.
J Med Chem (2002) 45 : 2388 -2409
PubMed 12036349 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 5.33 6.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL312137 1 6.00
CHEMBL526656 1 5.55
CHEMBL312121 1 5.30
CHEMBL80702 1 5.22
CHEMBL311561 1 5.21
CHEMBL526466 1 5.18
CHEMBL53821 1 5.10
CHEMBL502560 1 5.05
CHEMBL310586 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL312137 IC50 = 1000.0 nM 6.00
CHEMBL526656 IC50 = 2800.0 nM 5.55
CHEMBL312121 IC50 = 5000.0 nM 5.30
CHEMBL80702 IC50 = 6000.0 nM 5.22
CHEMBL311561 IC50 = 6100.0 nM 5.21
CHEMBL526466 IC50 = 6600.0 nM 5.18
CHEMBL53821 IC50 = 8000.0 nM 5.10
CHEMBL502560 IC50 = 8900.0 nM 5.05
CHEMBL310586 IC50 < 50.0 nM -