Compound Detail
CHEMBL1079
TIZANIDINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1079 |
| Name | TIZANIDINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
6
Targets
7
Activities
2
Assay Types
9
PK Parameters
20
Publications
2
Known Names
3
Indications
Molecular Properties
253.7
MW (Da)
1.72
ALogP
6
HBA
2
HBD
62.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1996 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Muscle Spasticity Pain Melanoma
ATC Classification
M03BX02
tizanidine
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: MUSCLE RELAXANTS
Activity Summary
EC50 4 meas. best 7.07
Ki 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 7.55 | 7.55 | 28.3 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.93 | 6.93 | 117.9 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | EC50 | 6.58 | 6.58 | 264.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3988626 | EC50 | 6.49 | 6.49 | 322.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 5.91 | 5.91 | 1231.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 49.0 | % | Homo sapiens |
| Fu | 0.7 | - | Homo sapiens |
| Fu | 0.7 | - | Homo sapiens |
| MRT | 3.6 | hr | Homo sapiens |
| T1/2 | 2.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 28.31 | nM | 7.55 | Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... | 18621536 |
| Nischarin | Ki | = | 28.3 | nM | 7.55 | Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... | 18621536 |
| Alpha-2A adrenergic receptor | EC50 | = | 86.0 | nM | 7.07 | Agonist activity at human recombinant alpha-2A receptor expressed in PC12 cells ... | - |
| Unchecked | Ki | = | 117.9 | nM | 6.93 | Displacement of [125I]PIC from human alpha2 adrenoceptors expressed in CHO cells | 18621536 |
| Alpha-1A adrenergic receptor | EC50 | = | 264.0 | nM | 6.58 | Agonist activity at bovine recombinant alpha-1A receptor expressed in HEK293 cel... | - |
| Alpha-1B adrenergic receptor | EC50 | = | 322.0 | nM | 6.49 | Agonist activity at hamster recombinant alpha-1B receptor expressed in HEK293 ce... | - |
| Alpha-2C adrenergic receptor | EC50 | = | 1231.0 | nM | 5.91 | Agonist activity at human recombinant alpha-2C receptor expressed in PC12 cells ... | - |
Literature References
Data from ChEMBL 36 via Core Engine