CHEMBL11592


SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
InChIKey DLLULNTXJPATBC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 442.3

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
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 10.0 10.0 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 5.3 5.61 6.0 ChEMBL
α2A ADA2A Bovine Adrenoceptors A pIC50 5.0 6.8 7.7 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pIC50 4.4 4.77 5.22 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 4.4 4.5 4.7 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 5.52 7.54 8.0 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 5.0 5.17 5.3 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 5.3 5.3 5.3 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.7 9.31 9.7 ChEMBL
D1 DRD1 Human Dopamine A pIC50 4.4 4.4 4.4 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 9.7 9.7 9.7 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.0 8.0 8.0 ChEMBL