CHEMBL461023


SMILES COc1cccc2cc3n(c12)CCN(CCCCNC(=O)C1=Cc2ccccc2CN1)C3
InChIKey AKMKMWQSLNWMNJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 430.2

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
D2 DRD2 Rat Dopamine A pKi 6.0 6.0 6.0 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.55 7.55 7.55 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.47 7.47 7.47 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.55 7.55 7.55 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database