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

General Information of Drug (ID: DR2378)
Drug Name
Metaxalone
Synonyms
Methaxalonum; Metaxalon; Methoxolone; Skelaxin; METAXALONE; Zorane; 1665-48-1; 5-((3,5-Dimethylphenoxy)methyl)oxazolidin-2-one; Metazalone; Metazolone; Metaxolone; AHR-438; Metaxalonum [Latin]; Metassalone [DCIT]; 2-Oxazolidinone, 5-[(3,5-dimethylphenoxy)methyl]-; Metaxalonum [INN-Latin]; Metaxalona [INN-Spanish]; AHR 438; 5-(3,5-Xyloloxymethyl)oxazolidin-2-one; 5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one; Metaxalona [Spanish]; CL 39,148; NSC 170959; 2-Oxazolidinone, 5-((3,5-xylyloxy)methyl)-; Metaxalone [USAN:INN:BAN]; 5-((3,5-Dimethylphenoxy)methyl)-2-oxazolidinone; 5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one; HSDB 3236; 5-((3,5-Xylyloxy)methyl)-2-oxazolidinone; 5-[(3,5-Xylyloxy)methyl]-2-oxazolidinone; EINECS 216-777-6; BRN 0884592; MLS003106749; CHEBI:6797; IMWZZHHPURKASS-UHFFFAOYSA-N; 5-[(3,5-Dimethylphenoxy)methyl]-2-oxazolidinone; 2-Oxazolidinone, 5-((3,5-dimethylphenoxy)methyl)-; NSC170959; NSC-170959; NCGC00095116-01; DSSTox_CID_3269; 2-Oxazolidinone, 5-[(3,5-xylyloxy)methyl]-; 5-(3,5-dimethylphenoxymethyl)-2-oxazolidinone; DSSTox_RID_76949; DSSTox_GSID_23269; 5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one; Metassalone; Metaxalona; Metaxalonum; CAS-1665-48-1; SR-05000001978; 5-((3,5-Dimethylphenoxy)methyl)-1,3-oxazolidin-2-one; .meta.Xalone; .meta.Zalone; .meta.Zolone; .meta.Xalon; Skelaxin (TN); Spectrum_001741; SpecPlus_000656; Metaxalone (USAN/INN); Spectrum2_000548; Spectrum3_001666; Spectrum4_000612; Spectrum5_001685; Oprea1_438855; SCHEMBL34908; BSPBio_003451; KBioGR_001164; KBioSS_002221; DivK1c_006752; SPECTRUM1504229; SPBio_000595; GTPL7609; CHEMBL1079604; DTXSID3023269; Metaxalone, >=98% (HPLC); CTK8F0377; KBio1_001696; KBio2_002221; KBio2_004789; KBio2_007357; KBio3_002671; HMS1922H07; HMS2093C22; Pharmakon1600-01504229; BCP28377; HY-B0678; KS-00000ZH8; Tox21_111428; WLN: T5MVOTJ D1OR C1 E1; 2-Oxazolidinone,5-xylyloxy)methyl]-; CCG-39592; MFCD00867700; NSC758703; s3730; STL450994; STL451511; AKOS009035315; Tox21_111428_1; CS-2910; DB00660; FS-3218; MCULE-3101469866; NSC-758703; TRA0047745; NCGC00095116-02; NCGC00095116-03; NCGC00095116-05; AK-61006; BR-61006; SMR001821638; SBI-0052859.P002; 2-Oxazolidinone,5-dimethylphenoxy)methyl]-; AB0063964; DB-043656; LS-100704; TR-035874; 4CH-009638; AM20060525; FT-0603568; M2578; ST24029254; 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone; C07934; D00773; S-2010; AB00053284_04; 665M481; A810747; J-010295; Q6823309; SR-05000001978-1; SR-05000001978-3; BRD-A94709349-001-02-6; BRD-A94709349-001-03-4; 5-[(3,5-Dimethylphenoxy)methyl]-1,3-oxazolidin-2-one #; 5-{[(3,5-dimethylphenyl)oxy]methyl}-1,3-oxazolidin-2-one; 5-[(3,5-dimethylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-ol; Metaxalone, United States Pharmacopeia (USP) Reference Standard; Metaxalone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material
Indication Myalgia [ICD11: FB56] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 221.25 Topological Polar Surface Area 47.6
Heavy Atom Count 16 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
15459
PubChem SID
10136 ; 223524 ; 443232 ; 5454948 ; 7847838 ; 8161614 ; 10510116 ; 11341927 ; 11362110 ; 11364635 ; 11367197 ; 11369759 ; 11372770 ; 11374303 ; 11377921 ; 11484331 ; 11487512 ; 11488364 ; 11491481 ; 11492427 ; 11495555 ; 14797958 ; 26612681 ; 26679615 ; 26748938 ; 26748939 ; 29283414 ; 46506253 ; 47217064 ; 47217065 ; 47440556 ; 48416228 ; 50001705 ; 50107490 ; 57329020 ; 78100200 ; 81041143 ; 85787981 ; 92124711 ; 92307892 ; 99358106 ; 103737291 ; 104337209 ; 117601598 ; 124637427 ; 125342557 ; 126652570 ; 126691493 ; 128190925 ; 131301288
ChEBI ID
CHEBI:6797
CAS Number
1665-48-1
TTD Drug ID
D0S5CH
Formula
C12H15NO3
Canonical SMILES
CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C
InChI
1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
InChIKey
IMWZZHHPURKASS-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1377 Bacteroides pectinophilus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1445 Parabacteroides distasonis Not Available Not Available [2]
⏷ Show the Full List of 9  DME(s)
References
1 Metaxalone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.