CHEMBL4597048


SMILES CCCN(CCCCNC(=O)c1ccc(-c2ccccn2)cc1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIKey NRXPFRHREANWEK-NOZRDPDXSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 509.2

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 6.04 6.04 6.04 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.63 5.63 5.63 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.35 7.35 7.35 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.28 8.28 8.28 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pEC50 6.13 6.13 6.13 ChEMBL
D3 DRD3 Human Dopamine A pEC50 4.96 6.25 7.53 ChEMBL