Molecule Details
InChIKeySSNXTQYKPHRSPE-RRQFZRKBSA-N
Compound Name[(2R,3S,4R,5R)-5-[6-amino-2-(furan-2-yl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acid
Canonical SMILESCOc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)nc(-c5ccco5)nc43)[C@H](O)[C@@H]1O)C(=O)OC2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.28
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P12268 IMPDH2 Homo sapiens Human PF00571 PF00478 7.4 Ki ChEMBL;BindingDB
P20839 IMPDH1 Homo sapiens Human PF00571 PF00478 7.2 Ki ChEMBL
P48449 LSS Homo sapiens Human PF13243 PF13249 7.2 Ki BindingDB