Molecule Details
InChIKeyNYJKRUFCTNREQN-LVXARBLLSA-N
Compound NameN-((2S,4S)-1-(4-(2,5-dimethylphenethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide
Canonical SMILESCc1ccc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)c1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.49
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O75173 ADAMTS4 Homo sapiens Human PF17771 PF19236 PF05986 PF01421 PF00090 9.3 IC50 ChEMBL;BindingDB
P78536 ADAM17 Homo sapiens Human PF16698 PF00200 PF13574 7.7 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 Clinical TTD_MultiTarget TTD_MultiTarget