CHEMBL11265


SMILES COc1cccc2c1CC1(CCCN1CCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIKey XVCOCVUIJOUBOY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 440.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Bovine Dopamine A pIC50 4.63 4.64 4.65 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 4.88 4.92 4.95 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.51 5.27 5.89 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 5.18 5.3 5.42 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.94 7.36 8.17 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.96 5.96 5.96 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.97 7.97 7.97 ChEMBL