CHEMBL26998


SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
InChIKey ASXGJMSKWNBENU-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 247.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 ChEMBL
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.34 7.7 8.05 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.2 6.5 6.79 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.32 7.32 7.32 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.31 8.61 8.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.15 9.01 10.0 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.75 6.75 6.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.09 6.72 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.15 5.28 5.4 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.31 8.36 8.4 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL