CHEMBL4451683


SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
InChIKey OIRZLTZLOKARTG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 454.2

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 5.26 5.26 5.26 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.95 6.95 6.95 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.55 7.55 7.55 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.36 9.4 9.44 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.82 6.85 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.3 7.3 7.3 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.59 8.59 8.59 ChEMBL