Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1605)
Drug Name
Tizanidine hydrochloride
Synonyms
Tizanidine (hydrochloride); Tizanidine Hcl; Tizanidine hydrochloride; UNII-B53E3NMY5C; 5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole hydrochloride; 5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole monohydrochloride; 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride; 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]thiadiazol-4-amine hydrochloride; 64461-82-1; B53E3NMY5C; DS 103-282; DS-103-282; MFCD00798231
Indication Muscle spasticity [ICD11: FB30] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 290.17 Topological Polar Surface Area 90.4
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
114869
ChEBI ID
CHEBI:9609
CAS Number
64461-82-1
TTD Drug ID
D01MDT
Formula
C9H9Cl2N5S
Canonical SMILES
C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.Cl
InChI
1S/C9H8ClN5S.ClH/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);1H
InChIKey
ZWUKMNZJRDGCTQ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
5-chloro-4-(2- imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole DM004666
125355057
Unclear 1 [3]
5-chloro-4-(guanidino)-2,1,3-benzothiadiazole DM004665 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005010 Tizanidine hydrochloride 5-chloro-4-(guanidino)-2,1,3-benzothiadiazole Unclear CYP1A2 [3]
MR005011 Tizanidine hydrochloride 5-chloro-4-(2- imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole Unclear CYP1A2 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Tizanidine Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218.
3 DrugBank(Pharmacology-Metabolism):Tizanidine hydrochloride

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