CHEMBL4070091


SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1
InChIKey VDIKOHJQRNCQAT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 418.2

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 7.77 7.77 7.77 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.07 6.07 6.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.55 7.55 7.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.96 9.11 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.38 7.38 7.38 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.08 7.08 7.08 ChEMBL