CHEMBL4072780


SMILES O=C1CCc2ccc(OCCCCN3CCN(c4ccc(O)c5c4OCC(=O)N5)CC3)cc2N1
InChIKey DEKJLYJRFGCPNK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 466.2

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 5.38 5.38 5.38 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.92 4.92 4.92 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.08 8.08 8.08 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.0 9.0 9.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.06 9.12 9.17 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.04 7.04 7.04 ChEMBL