Molecule Details
InChIKeyJGKVLOVOUVLRSP-DFOYNDKMSA-N
Compound Name[(2R,3S,4R,5R)-5-(6-amino-2-ethyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethoxy]phosphoryl]methyl]phosphinic acid
Canonical SMILESCCc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)OCCc4c(O)c5c(c(C)c4OC)COC5=O)[C@@H](O)[C@H]3O)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.67
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P20839 IMPDH1 Homo sapiens Human PF00571 PF00478 7.8 Ki ChEMBL;BindingDB
P48449 LSS Homo sapiens Human PF13243 PF13249 7.8 Ki BindingDB
P12268 IMPDH2 Homo sapiens Human PF00571 PF00478 7.4 Ki ChEMBL;BindingDB