Molecule Details
InChIKeyCTZVCMKQQAGWBA-UHFFFAOYSA-N
Compound Name2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Canonical SMILESCc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)c(OC(C)C)cc1C1CCNCC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.94
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P06748 NPM1 Homo sapiens Human PF16276 PF03066 7.3 IC50 ChEMBL
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 7.3 IC50 ChEMBL;BindingDB
P06213 INSR Homo sapiens Human PF00757 PF17870 PF07714 PF01030 6.2 IC50 ChEMBL;BindingDB