BERBERINE


SMILES COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 336.1

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-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.56 6.56 6.56 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.66 5.66 5.66 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.13 6.13 6.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 5.65 5.65 5.65 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.22 6.22 6.22 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.55 5.55 5.55 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.46 5.46 5.46 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.51 5.51 5.51 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.9 5.03 5.1 ChEMBL