Molecule Details
InChIKeyHMKAZNCSHAJLSA-HIJQLYNKSA-N
Compound Name2-((3R,5R,6S)-1-((S)-2-(tert-Butylsulfonyl)-1-cyclopropylethyl)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl)acetic acid
Canonical SMILESCC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL10.01
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08684 CYP3A4 Homo sapiens Human PF00067 10.0 IC50 ChEMBL;BindingDB
P04637 TP53 Homo sapiens Human PF00870 PF08563 PF07710 PF18521 10.0 IC50 ChEMBL
Q00987 MDM2 Homo sapiens Human PF02201 PF13920 PF00641 10.0 IC50 ChEMBL;BindingDB