CHEMBL5426242


SMILES COc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2c1)CC3
InChIKey ULYBTXJNQXAQFS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 418.2

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 5.98 5.98 5.98 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.59 7.59 7.59 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.72 6.72 6.72 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.25 6.25 6.26 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.94 7.94 7.94 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.62 7.62 7.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.74 5.75 5.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 5.93 6.05 6.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.06 7.06 7.07 ChEMBL
D3 DRD3 Human Dopamine A pEC50 5.83 6.38 6.92 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.62 7.67 7.73 ChEMBL