CHEMBL4085752


SMILES O/N=C/c1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCCO5)CC3)cc12
InChIKey NROVFAZNNKPZNQ-YZSQISJMSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 467.2

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 6.85 7.03 7.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.54 8.27 8.96 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.01 6.12 6.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.46 7.49 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.77 6.77 6.77 ChEMBL