Molecule Details
InChIKeyXZEFMZCNXDQXOZ-UHFFFAOYSA-N
Compound Name2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
Canonical SMILESCC(C)n1cnc2/c(=N/c3cccc(Cl)c3)nc(NCCO)[nH]c21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.72
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08325
Drug Name2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
CAS Number212779-48-1
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 50113707 CHEMBL311228 ChemSpider: 2754 PDB: OLP PubChem:2856 PubChem:99444796 ZINC: ZINC000002391782
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P49841 GSK3B Homo sapiens Human PF00069 7.2 IC50 ChEMBL;BindingDB
P06493 CDK1 Homo sapiens Human PF00069 6.5 IC50 ChEMBL;BindingDB
P14635 CCNB1 Homo sapiens Human PF02984 PF00134 6.5 IC50 ChEMBL
DrugBank Target Actions (2)
Target Gene Target Name Action Type
Q12866 MERTK Tyrosine-protein kinase Mer binder targets
Q9HCP0 CSNK1G1 Casein kinase I isoform gamma-1 binder targets