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

General Information of Drug (ID: DR2270)
Drug Name
WIN-4692
Synonyms
Alinam; Banabil-sintyal; Banabin; Banabin-sintyal; Chlormezanone; Banabin-syntyal; Bisina; Chlomedinon; Chlormethazanone; Chlormethazone; Chlormezanon; Chlormezanona; Chlormezanone (JAN/INN); Chlormezanone [BAN:INN:JAN]; Chlormezanone [INN:BAN:JAN]; Chlormezanonum; Chlormezanonum [INN-Latin]; Clorilax; Clormetazanone; Clormetazon; Clormezanona; Clormezanona [INN-Spanish]; Clormezanone; Clormezanone [DCIT]; Dichloromethazanone; Dichloromezanone; Dl-Chlormezanone; Mio-sed; Miorilax; Muskel; Muskel-Trancopal; Myolespen; Phenarol; Rilansyl; Rilaquil; Rilasol; Rilassol; Rillasol; Supotran; Suprotan; TRANCOPAL (TN); Tanafol; Trancopal; Trancopal (TN); Trancote; Tranrilax; Transanate; WIN 4692; (+-)-Chlormezanone; 2-(4-Chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide; 2-(4-Chlorophenyl)-3-methyl-4-metathiazanone-1,1-dioxide; 2-(4-Chlorophenyl)tetrahydro-3-methyl-4H,1,3-thiazin-4-one 1,1-Dioxide; 2-(4-Chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide; 2-(4-Chlorphenyl)-3-methyl-4-metathiazanon-1,1-dioxid; 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one; 2-(p-Chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide; 2-(p-Chlorphenyl)-3-methyl-1,3-perhydrothiazin-4-on-1,1-dioxide; 2-(para-Chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one, 1,1-dioxide; 4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide; 4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-1,1-dioxide; 4H-1,3-Thiazin-4-one, 2-(p-chlorophenyl)tetrahydro-3-methyl-, 1,1,-dioxide; 4H-1,3-Thiazin-4-one, 2-(p-chlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide; 4H-1,3-Thiazin-4-one, 2-(p-chlorophenyl)tetrahydro-3-methyl-1,1-dioxide; 4H-1,3-Thiazin-4-one, tetrahydro-2-(p-chlorophenyl)-3-methyl-, 1,1-dioxide; C-192; Lobak; Rexan; Rilax
Indication Cerebral vasospasm [ICD11: BA85] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 273.74 Topological Polar Surface Area 62.8
Heavy Atom Count 17 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2717
PubChem SID
442083 ; 5050815 ; 7847334 ; 8150147 ; 8151758 ; 10321688 ; 10536330 ; 11336061 ; 11361300 ; 11363308 ; 11365870 ; 11368432 ; 11372047 ; 11374872 ; 11376594 ; 11462272 ; 11466364 ; 11467484 ; 11485529 ; 11486028 ; 11489623 ; 11490899 ; 11493051 ; 11494228 ; 14996956 ; 17404946 ; 26613160 ; 26679933 ; 26747112 ; 26751725 ; 28220405 ; 29221874 ; 46505352 ; 47291193 ; 47440324 ; 47440325 ; 47440326 ; 47736546 ; 47810809 ; 47885474 ; 48259297 ; 48259298 ; 48334563 ; 48334564 ; 48415758 ; 49698818 ; 50051463 ; 50104419 ; 50104420 ; 51023175
ChEBI ID
CHEBI:3619
CAS Number
80-77-3
TTD Drug ID
D0S1OE
Formula
C11H12ClNO3S
Canonical SMILES
CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl
InChI
1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
WEQAYVWKMWHEJO-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
WIN-4692 M1 PDM007697 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1357 Alistipes indistinctus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1399 Enterocloster asparagiformis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1431 Holdemanella biformis Not Available Not Available [2]
⏷ Show the Full List of 7  DME(s)
References
1 National Center for Advancing Translational Science-Inxight: drug (GP568V9G19)
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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