Molecule Details
InChIKeyPLZWVXKEQYGKTJ-AUSIDOKSSA-N
Compound Name1-[(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
Canonical SMILESCC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)7
Pfam Stratification Cross-Family
Avg pChEMBL6.46
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (7)
Target Gene Organism Category Pfam pChEMBL Type Source
O15530 PDPK1 Homo sapiens Human PF14593 PF00069 7.1 IC50 ChEMBL;BindingDB
P49841 GSK3B Homo sapiens Human PF00069 6.5 IC50 ChEMBL;BindingDB
P31749 AKT1 Homo sapiens Human PF00169 PF00069 PF00433 6.4 pIC50 TTD_MultiTarget
P42345 MTOR Homo sapiens Human PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 6.4 pIC50 TTD_MultiTarget
O14965 AURKA Homo sapiens Human PF00069 6.3 IC50 ChEMBL;BindingDB
Q9P0L2 MARK1 Homo sapiens Human PF02149 PF00069 PF00627 6.2 IC50 ChEMBL;BindingDB
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 6.2 IC50 ChEMBL;BindingDB