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

General Information of Drug (ID: DR0781)
Drug Name
Glucosamine
Synonyms
Glucosamine, beta-D; SCHEMBL3263; Spectrum2_000519; Spectrum3_000443; Spectrum4_000565; Spectrum5_000756; Spectrum_000831; D-Glucopyranose, 2-deoxy-2-Amino-; beta-D-Glucosamine; beta-Glucosamine; beta-Glucosamine, d-; chitosamine; glucosamin; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; 14257-69-3; 2-Amino-2-deoxy-beta-D-glucopyranose; 2-amino-2-deoxyglucose; 3h-glucosamine; 58L064K8RR; AC1L9B8P; BSPBio_002086; CHEBI:28393; GCS; KBioGR_000970; KBioSS_001311; UNII-58L064K8RR; beta-D-Glucopyranose, 2-amino-2-deoxy-
Indication Osteoarthritis [ICD11: FA00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 179.17 Topological Polar Surface Area 116
Heavy Atom Count 12 Rotatable Bond Count 1
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
441477
PubChem SID
10546 ; 596534 ; 838095 ; 7887788 ; 8144354 ; 8149359 ; 10298849 ; 11335436 ; 11360675 ; 11363725 ; 11366287 ; 11368849 ; 11371406 ; 11374109 ; 11377011 ; 11461647 ; 11484213 ; 11488335 ; 11490259 ; 11492380 ; 11494645 ; 15017247 ; 26705499 ; 26757840 ; 36885304 ; 47515213 ; 47588889 ; 48259121 ; 48416057 ; 49681524 ; 50123509 ; 53776778 ; 53801097 ; 56260981 ; 56260989 ; 56310980 ; 56311554 ; 56314432 ; 57280208 ; 57280217 ; 57394145 ; 57403708 ; 74565043 ; 81060983 ; 93375352 ; 99301349 ; 104234243 ; 104625549 ; 111123326 ; 114919127
ChEBI ID
ChEBI:47977
CAS Number
3416-24-8
TTD Drug ID
D07NSU
Formula
C6H13NO5
Canonical SMILES
C(C1C(C(C(C(O1)O)N)O)O)O
InChI
1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
MSWZFWKMSRAUBD-QZABAPFNSA-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
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007230 Glucosamine Unclear Unclear DME-unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
Unclear metabolic mechanism (DME-unclear) DMEN352 . Not Available Not Available [3]
References
1 ClinicalTrials.gov (NCT03743896) Transdermal Delivery of Glucosamine to the Synovial Fluid of Male and Female With Knee Osteoarthritis.
2 Characterization of moclobemide N-oxidation in human liver microsomes. Xenobiotica. 2001 Jul;31(7):387-97.
3 Uptake and metabolism of N-acetylglucosamine and glucosamine by Streptococcus mutans

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