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 |
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 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.12 | 7.12 | 7.12 | PDSP Ki database |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.21 | 7.21 | 7.21 | 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 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 6.65 | 6.65 | 6.65 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.91 | 5.91 | 5.91 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.07 | 7.07 | 7.07 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.23 | 8.23 | 8.23 | Drug Central |
α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 8.18 | 8.18 | 8.18 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |