Molecule Details
InChIKeySKLSVPSTTVFNGB-UHFFFAOYSA-N
Compound Name4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-trifluoromethoxy-phenylethynyl)-phenylsulfanyl]-butyric acid
Canonical SMILESO=C(O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL9.05
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 9.2 IC50 ChEMBL;BindingDB
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 8.9 pIC50 TTD_MultiTarget