cirazoline
| SMILES | C1CN=C(N1)COc1ccccc1C1CC1 |
| InChIKey | YAORIDZYZDUZCM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 216.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 7.2 | 7.2 | 7.2 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.9 | 5.0 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 7.9 | 7.9 | 7.9 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |