CHEMBL4084690


SMILES O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5oc(=O)ccc45)CC3)cc2N1
InChIKey DMEAUWNQEDPHFL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 477.2

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 5.3 5.3 5.3 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.62 6.62 6.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.0 7.21 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.66 6.78 6.89 ChEMBL