CHEMBL69451


SMILES O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1
InChIKey YJGPWNCHDJDGJR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 482.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pKi 9.22 9.22 9.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.24 7.24 7.24 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.28 7.28 7.28 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.63 7.63 7.63 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.64 7.64 7.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.63 9.16 9.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.21 7.51 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.2 8.2 8.2 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.2 8.2 8.2 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.04 7.04 7.04 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.04 7.04 7.04 ChEMBL