CHEMBL225571


SMILES O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC1CCCc2ccccc21
InChIKey ZBUOQRCOVPVZEE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 450.3

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
D2 DRD2 Human Dopamine A pKi 6.17 6.17 6.17 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.17 6.17 6.17 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.74 6.74 6.74 ChEMBL
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pEC50 5.0 5.0 5.0 ChEMBL