Molecule Details
InChIKeyQVKJHTQSZHYYSV-OAQYLSRUSA-N
Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5-[3-fluoro-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]furan-2-carboxamide
Canonical SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)c(F)c2)o1)C(C)(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.76
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 8.6 IC50 ChEMBL;BindingDB
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 7.8 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 6.9 IC50 ChEMBL;BindingDB