TIZANIDINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC M03BX02
UNII 6AI06C00GW
EPA CompTox DTXSID9023679

Structure

InChI Key XFYDIVBRZNQMJC-UHFFFAOYSA-N
Smiles Clc1ccc2nsnc2c1NC1=NCCN1
InChI
InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8ClN5S
Molecular Weight 253.72
AlogP 1.72
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 62.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 7.43
Other cytosolic protein
- - - 28.3-28.31 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 28.3-117.9 7.43

Cross References

Resources Reference
ChEBI 63629
ChEMBL CHEMBL1079
DrugBank DB00697
DrugCentral 2683
FDA SRS 6AI06C00GW
Human Metabolome Database HMDB0014835
Guide to Pharmacology 7308
KEGG C07452
PharmGKB PA451701
PubChem 5487
SureChEMBL SCHEMBL60334
ZINC ZINC000019702309
CONTENTS