CHEMBL4079375


SMILES O=Cc1cnn2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc12
InChIKey QUUFDJZHDLIECK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 465.2

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
D5 DRD5 Human Dopamine A pKi 5.11 5.11 5.11 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.92 4.92 4.92 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.54 5.54 5.54 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.92 8.92 8.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.96 9.05 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.17 7.17 7.17 ChEMBL