CHEMBL1178987


SMILES COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIKey XAPFLVQLRAMPJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 400.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pIC50 5.0 5.0 5.0 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 4.7 4.7 4.7 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 6.05 6.05 6.05 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.7 4.7 4.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.7 7.7 7.7 ChEMBL
α2A ADA2A Bovine Adrenoceptors A pIC50 4.7 4.7 4.7 ChEMBL