Molecule Details
InChIKeyZQYFMUWPCUPRLF-XYOKQWHBSA-N
Compound Name(E)-1-(4-(dimethylamino)but-2-enoyl)-N-(3-(1-((8-isopropyl-2-((tetrahydro-2H-pyran-4-yl)amino)pyrazolo[1,5-a][1,3,5]triazin-4-yl)amino)ethyl)phenyl) piperidine-3-carboxamide
Canonical SMILESCC(C)c1cnn2c(NC(C)c3cccc(NC(=O)C4CCCN(C(=O)/C=C/CN(C)C)C4)c3)nc(NC3CCOCC3)nc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.19
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P50613 CDK7 Homo sapiens Human PF00069 6.2 IC50 ChEMBL
P51946 CCNH Homo sapiens Human PF16899 PF00134 6.2 IC50 ChEMBL;BindingDB
P51948 MNAT1 Homo sapiens Human PF25811 PF06391 PF17121 6.2 IC50 ChEMBL