Chembl514885


SMILES CCCN(CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIKey YDLWLYDTYNHXBM-VWLOTQADSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 475.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pKi 9.03 9.04 9.04 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.58 6.6 6.63 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.04 9.04 9.04 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.82 9.45 10.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.48 7.59 7.7 ChEMBL