Molecule Details
InChIKeyVGRXUTKMSTVYDB-JCSUNJAGSA-N
Compound Name(2S)-1-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]pyrrolidine-2-carboxylic acid
Canonical SMILESCOc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCC[C@H]1C(=O)O)C(=O)OC2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.12
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 6.3 Ki ChEMBL;BindingDB
P20839 IMPDH1 Homo sapiens Human PF00571 PF00478 6.0 Ki ChEMBL
P48449 LSS Homo sapiens Human PF13243 PF13249 6.0 Ki BindingDB