CHEMBL496739


SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1
InChIKey DIJKUIXRAWOVGJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 391.2

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
D1 DRD1 Rat Dopamine A pKi 5.48 6.03 6.58 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.58 7.46 8.35 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.69 6.69 6.69 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.35 8.35 8.35 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.35 8.35 8.35 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.48 5.48 5.48 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 6.84 6.84 6.84 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.91 6.07 6.23 ChEMBL