CHEMBL244774


SMILES O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1
InChIKey MYAGOYYEDQFEPL-DUXPYHPUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 496.1

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
D3 DRD3 Human Dopamine A pKi 8.96 8.96 8.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.24 7.24 7.24 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.59 7.59 7.59 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.92 8.92 8.92 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.64 6.64 6.64 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.64 7.64 7.64 ChEMBL