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Assay Detail

CHEMBL666065

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ADMET
Inhibition of dog Cytochrome P450 3A by macrocycles
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Canis lupus familiaris
Confidence 8 — Homologous 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 5 5.31 6.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL80702 1 6.22
CHEMBL53821 1 5.30
CHEMBL78742 1 5.21
CHEMBL526466 1 4.98
CHEMBL526656 1 4.83

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL80702 IC50 = 600.0 nM 6.22
CHEMBL53821 IC50 = 5000.0 nM 5.30
CHEMBL78742 IC50 = 6100.0 nM 5.21
CHEMBL526466 IC50 = 10400.0 nM 4.98
CHEMBL526656 IC50 = 14800.0 nM 4.83