CHEMBL36622


SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1
InChIKey GYSZUJHYXCZAKI-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 345.2

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
α2A ADA2A Rat Adrenoceptors A pKd 6.34 6.34 6.34 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 7.65 7.65 7.65 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 7.64 7.64 7.64 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.7 7.75 7.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.98 7.98 7.98 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.95 7.95 7.95 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.39 7.39 7.39 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.39 7.39 7.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.88 5.0 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 6.0 7.5 ChEMBL