CHEMBL244990


SMILES O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1
InChIKey JTJUCUMXKUPFBQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 498.2

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
D4 DRD4 Human Dopamine A pKi 5.33 5.33 5.33 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.94 6.94 6.94 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.46 7.46 7.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.37 7.37 7.37 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.52 8.52 8.52 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 9.0 9.0 9.0 ChEMBL
D3 DRD3 Human Dopamine A pIC50 9.0 9.0 9.0 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.8 7.8 7.8 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.8 7.8 7.8 ChEMBL