Molecule Details
InChIKeyYAQNYFRHXMKRGE-HJPURHCSSA-N
Compound NameN-((2S,4S)-1-(4-(2-(3,5-dimethylisothiazol-4-yl)ethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide
Canonical SMILESCc1nsc(C)c1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL9.59
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O75173 ADAMTS4 Homo sapiens Human PF17771 PF19236 PF05986 PF01421 PF00090 9.6 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 Clinical TTD_MultiTarget TTD_MultiTarget
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 Clinical TTD_MultiTarget TTD_MultiTarget