CHEMBL4069091


SMILES O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccn2ncc(/C=N\O)c2c1
InChIKey HQCCZCGQNSJNDG-YSMPRRRNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 474.1

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
D4 DRD4 Human Dopamine A pKi 7.51 7.51 7.51 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.66 8.66 8.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.59 8.59 8.59 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.24 9.27 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.42 8.42 8.42 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.22 6.22 6.22 ChEMBL