Molecule Details
InChIKeyHXJFYDSKJKWFNO-VOTSOKGWSA-N
Compound Name(E)-N-hydroxy-3-[3-[[(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)amino]methyl]phenyl]prop-2-enamide
Canonical SMILESCC(C)n1cnc2c(NCc3cccc(/C=C/C(=O)NO)c3)nc(N3CCOCC3)nc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.32
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q13547 HDAC1 Homo sapiens Human PF00850 8.2 IC50 ChEMBL;BindingDB
P20248 CCNA2 Homo sapiens Human PF02984 PF00134 PF16500 6.9 IC50 ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 6.9 IC50 ChEMBL;BindingDB