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 |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
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 | Rat | Dopamine | A | pKi | 5.11 | 5.11 | 5.11 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | PDSP Ki database |
| 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 |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 4.4 | 4.8 | 5.2 | ChEMBL |
| CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.3 | 5.32 | 5.35 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pEC50 | 5.1 | 5.17 | 5.23 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | 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 |
| 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 | A orphans | A | pIC50 | 8.32 | 8.32 | 8.32 | Drug Central |