CHEMBL5431103


SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIKey NOSXOCMQQISHPL-IYARVYRRSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 441.2

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 6.12 6.12 6.12 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.34 5.34 5.34 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.83 8.83 8.83 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.85 9.85 9.85 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.34 8.34 8.34 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.8 8.8 8.8 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.65 8.71 8.77 ChEMBL