CHEMBL4064742


SMILES O=C1CCc2ccc(OCCCCN3CCCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1
InChIKey GMKWDFMANHJRNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 480.2

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
D5 DRD5 Human Dopamine A pKi 4.82 4.82 4.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.22 7.22 7.22 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.57 5.57 5.57 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.7 8.7 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.2 6.55 7.11 ChEMBL