IMATINIB


SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIKey KTUFNOKKBVMGRW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 493.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pKi 5.71 5.71 5.71 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.27 6.27 6.27 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
H2 HRH2 Human Histamine A pKi 8.24 8.24 8.24 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pIC50 5.71 5.71 5.71 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.72 5.72 5.72 ChEMBL