tizanidine
| SMILES | Clc1ccc2c(c1NC1=NCCN1)nsn2 |
| InChIKey | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 253.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 7.21 | 7.21 | 7.21 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.12 | 7.12 | 7.12 | PDSP Ki database |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.12 | 7.12 | 7.12 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.07 | 7.07 | 7.07 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.23 | 8.23 | 8.23 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.91 | 5.91 | 5.91 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |