Molecule Details
InChIKeyBCBUOCNTMGMTQK-UHFFFAOYSA-N
Compound NameN-(2-aminoethyl)-N-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]methanesulfonamide
Canonical SMILESCS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.1
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P06493 CDK1 Homo sapiens Human PF00069 8.3 pIC50 TTD_MultiTarget
P14635 CCNB1 Homo sapiens Human PF02984 PF00134 8.3 IC50 ChEMBL
O14965 AURKA Homo sapiens Human PF00069 7.7 IC50 ChEMBL;BindingDB