QUERCETIN


SMILES O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey REFJWTPEDVJJIY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 1
Molecular weight (Da) 302.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 5.16 5.16 5.16 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.61 5.61 5.61 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.11 5.11 5.11 ChEMBL
A3 AA3R Human Adenosine A pKi 4.52 4.52 4.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.29 8.29 8.29 Drug Central
A3 AA3R Human Adenosine A pKi 8.34 8.34 8.34 Drug Central
A1 AA1R Rat Adenosine A pKi 8.25 8.25 8.25 Drug Central
A2A AA2AR Rat Adenosine A pKi 8.29 8.29 8.29 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR1 CXCR1 Human Chemokine A pIC50 5.3 5.32 5.35 ChEMBL
GPR35 GPR35 Human Orphan A pEC50 5.1 5.17 5.23 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 4.81 4.81 4.81 ChEMBL
CCR4 CCR4 Human Chemokine A pIC50 4.0 4.66 5.0 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.7 5.1 5.5 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 4.4 4.8 5.2 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.8 6.8 6.8 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.71 5.0 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 8.28 8.28 8.28 Drug Central
CCR4 CCR4 Human Chemokine A pIC50 8.3 8.3 8.3 Drug Central
CXCR1 CXCR1 Human Chemokine A pIC50 8.27 8.27 8.27 Drug Central
GPR35 GPR35 Human Orphan A pIC50 8.32 8.32 8.32 Drug Central