CHEMBL1774995


SMILES O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I
InChIKey IUEHDTRLKKNLDW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 554.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.57 6.57 6.57 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.6 7.6 7.6 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.74 6.74 6.74 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.05 6.05 6.05 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.85 9.02 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.82 8.82 8.82 ChEMBL