CHEMBL3952802


SMILES O=C(O)/C=C/c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
InChIKey NFCYQBPNSWBYEF-DTQAZKPQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 542.3

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
α1B ADA1B Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
H1 HRH1 Human Histamine A pKi 6.7 6.7 6.7 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
H3 HRH3 Human Histamine A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database