CHEMBL3120682


SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1
InChIKey ZOEBHIRPMYPPES-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 448.2

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
D3 DRD3 Rat Dopamine A pKi 6.75 6.75 6.75 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 6.16 6.16 6.16 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.25 8.25 8.25 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database