Molecule Details
InChIKeySQWPYMHLYZKCEN-JPYJTQIMSA-N
Compound NameN-[(2S)-1-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-5-[4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]furan-2-carboxamide
Canonical SMILESCC(C)[C@H](NC(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)o1)C(=O)NC[C@@H](O)CO
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.33
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 8.2 IC50 ChEMBL;BindingDB
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 7.1 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 6.8 IC50 ChEMBL;BindingDB