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Assay Detail

CHEMBL4397221

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ADMET
Inhibition of CYP3A4 (unknown origin) by fluorescence-based assay
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 3A4 (CHEMBL340)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
Gurney ME, Nugent RA, Mo X, Sindac JA, Hagen TJ, Fox D, O'Donnell JM, Zhang C, Xu Y, Zhang HT, Groppi VE, Bailie M, White RE, Romero DL, Vellekoop AS, Walker JR, Surman MD, Zhu L, Campbell RF.
J Med Chem (2019) 62 : 4884 -4901
PubMed 31013090 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 5.19 5.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4593524 1 5.51
CHEMBL4573171 1 5.23
CHEMBL4541964 ZATOLMILAST 3.0 1 4.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4593524 IC50 = 3100.0 nM 5.51
CHEMBL4573171 IC50 = 5900.0 nM 5.23
CHEMBL4541964 ZATOLMILAST IC50 = 15000.0 nM 4.82