CHEMBL5409419


SMILES COc1cccc2c3c(oc12)CN(CCCCOc1ccc2c(c1)NC(=O)CC2)CC3
InChIKey UCGXXGOWEGSYJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 420.2

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
D5 DRD5 Human Dopamine A pKi 6.79 6.79 6.8 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.71 7.71 7.71 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.44 7.45 7.45 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.86 7.87 7.87 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.95 5.96 5.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.4 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 5.77 6.16 6.54 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.05 7.05 7.06 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.68 6.19 6.69 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.88 8.4 8.93 ChEMBL