Molecule Details
InChIKeyWOMJYJBQSUKEIE-UHFFFAOYSA-N
Compound Name5-[3-[6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propylcarbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Canonical SMILESNc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.63
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07900 HSP90AA1 Homo sapiens Human PF13589 PF00183 8.8 Kd ChEMBL
P08238 HSP90AB1 Homo sapiens Human PF13589 PF00183 8.8 Kd ChEMBL
Q12931 TRAP1 Homo sapiens Human PF13589 PF00183 8.2 Kd ChEMBL;BindingDB