ABT-239


SMILES N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C
InChIKey KFHYZKCRXNRKRC-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 330.2

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
H1 HRH1 Human Histamine A pKi 5.8 5.8 5.8 Guide to Pharmacology
H2 HRH2 Human Histamine A pKi 5.2 5.2 5.2 Guide to Pharmacology
H3 HRH3 Human Histamine A pKi 9.4 9.4 9.4 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 7.51 8.63 9.35 ChEMBL
H3 HRH3 Human Histamine A pKi 8.04 9.1 9.4 ChEMBL
H3 HRH3 Human Histamine A pKd 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Rat Histamine A pEC50 7.76 7.76 7.76 ChEMBL
H3 HRH3 Human Histamine A pIC50 9.2 9.2 9.2 ChEMBL
H3 HRH3 Human Histamine A pEC50 8.89 8.89 8.89 ChEMBL