Molecule Details
InChIKeyBTDOGCFKKXBYKB-UHFFFAOYSA-N
Compound NameN-hydroxy-4-(4-(4-(4-(2-methoxyethyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
Canonical SMILESCOCCN1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)CC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.35
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.3 pIC50 TTD_MultiTarget
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 7.3 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.3 pIC50 TTD_MultiTarget