xylometazoline
| SMILES | Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C |
| InChIKey | HUCJFAOMUPXHDK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 244.2 |
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 |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.85 | 7.87 | 7.89 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.82 | 7.82 | 7.82 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.98 | 5.98 | 5.98 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.89 | 6.89 | 6.89 | PDSP Ki database |
| α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 7.59 | 7.61 | 7.62 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.0 | 5.12 | 5.25 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.89 | 6.89 | 6.89 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 5.1 | 5.4 | ChEMBL |