CHEMBL398744


SMILES O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)c1ccco1
InChIKey XBIPCIFARHCNNE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 472.2

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
α1A ADA1A Rat Adrenoceptors A pKi 8.86 8.86 8.86 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.3 8.3 8.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.26 9.26 9.26 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.3 8.3 8.3 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.26 9.26 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database