Molecule Details
InChIKeyUFKFLDDRYBWLPH-UHFFFAOYSA-N
Compound NameN-hydroxy-4-(4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
Canonical SMILESO=C(NO)C1(S(=O)(=O)c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)CCOCC1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.68
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 9.2 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.9 pIC50 TTD_MultiTarget
P08254 MMP3 Homo sapiens Human PF00045 PF00413 PF01471 6.5 IC50 ChEMBL;BindingDB
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 6.2 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 8.6 pIC50 TTD_MultiTarget