IRDABISANT


SMILES C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
InChIKey XUKROCVZGZNGSI-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 313.2

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
H3 HRH3 Rat Histamine A pKi 8.14 8.2 8.57 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.01 5.01 5.01 ChEMBL
H3 HRH3 Human Histamine A pKi 8.7 8.7 8.7 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Rat Histamine A pEC50 8.7 8.7 8.7 ChEMBL
H3 HRH3 Human Histamine A pEC50 8.96 8.96 8.96 ChEMBL