Molecule Details
InChIKeyVKDFALPNJNFOKS-UHFFFAOYSA-N
Compound Name2-[[4-[(1-Carboxy-2-hydroxyethyl)amino]-6-[2-(4-sulfamoylphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-hydroxypropanoic acid
Canonical SMILESNS(=O)(=O)c1ccc(CCNc2nc(NC(CO)C(=O)O)nc(NC(CO)C(=O)O)n2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.38
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
O43570 CA12 Homo sapiens Human PF00194 8.2 Ki ChEMBL;BindingDB
Q9ULX7 CA14 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
Q16790 CA9 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 6.3 Ki ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 6.3 pIC50 TTD_MultiTarget