Molecule Details
InChIKeyHNEDFPGSHTUVKZ-UHFFFAOYSA-N
Compound Namebeta-Sulfone piperidine hydroxamate, 2c
Canonical SMILESCC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)c3ccccc3)CC2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)7
Pfam Stratification Cross-Family
Avg pChEMBL7.15
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (7)
Target Gene Organism Category Pfam pChEMBL Type Source
P78536 ADAM17 Homo sapiens Human PF16698 PF00200 PF13574 9.0 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.2 pIC50 TTD_MultiTarget
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 7.2 IC50 ChEMBL;BindingDB
Q9ULZ9 MMP17 Homo sapiens Human PF00045 PF00413 PF01471 6.8 pIC50 TTD_MultiTarget
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 6.3 IC50 ChEMBL;BindingDB
P50281 MMP14 Homo sapiens Human PF11857 PF00045 PF00413 PF01471 6.3 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.2 pIC50 TTD_MultiTarget