CHEMBL4063235


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
InChIKey JMDXHUNKNDOMJU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 405.2

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
D1 DRD1 Human Dopamine A pKi 6.68 6.68 6.68 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.89 8.89 8.89 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.96 6.96 6.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.6 9.7 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.72 7.72 7.72 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.6 7.24 7.89 ChEMBL