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

General Information of Drug (ID: DR2160)
Drug Name
Inositol
Synonyms
Inosital; Inosite; Inositene; Inositina; Iso-inositol; Meat sugar; Mesoinosit; Mesoinosite; Muco-Inositol; Myoinosite; Neo-inositol; Phaseomannite; Phaseomannitol; Quercinitol; Scyllite; Scyllitol; Scyllo-inositol; cis-Inositol; Allo-inositol; Cocositol; Cyclohexane-1,2,3,4,5,6-hexaol; Cyclohexitol; D-(+)-chiro-Inositol; D-chiro-Inositol; Dambose; cyclohexane-1,2,3,4,5,6-hexol; epi-Inositol; i-Inositol; inositol; meso-Inositol; mesoinositol; 1D-Chiro-inositol; 1L-Chiro-inositol; 488-59-5; 643-12-9; 6917-35-7; 87-89-8
Indication Polycystic ovary syndrome [ICD11: 5A80] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 180.16 Topological Polar Surface Area 121
Heavy Atom Count 12 Rotatable Bond Count 0
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
892
PubChem SID
2958 ; 3437 ; 8408 ; 8409 ; 73813 ; 86405 ; 99187 ; 105284 ; 105285 ; 105291 ; 405648 ; 419053 ; 474354 ; 594439 ; 594440 ; 606061 ; 820280 ; 822652 ; 841533 ; 3133547 ; 3155010 ; 3155011 ; 6332601 ; 7888419 ; 8137917 ; 8138252 ; 8138293 ; 8138294 ; 8141702 ; 8145718 ; 8146839 ; 8146881 ; 8150849 ; 10523934 ; 10523935 ; 10523936 ; 10531552 ; 10537350 ; 10548140 ; 11364489 ; 11367051 ; 11369613 ; 11371925 ; 11375023 ; 11377775 ; 11446130 ; 11455636 ; 11490868 ; 11493007 ; 11495409
ChEBI ID
CHEBI:17268
CAS Number
173524-45-3
TTD Drug ID
D03SHD
Formula
C6H12O6
Canonical SMILES
C1(C(C(C(C(C1O)O)O)O)O)O
InChI
1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKey
CDAISMWEOUEBRE-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
D-Glucuronic acid DM004166
94715
Unclear 1 [3]
Xylulose-5-P DM003850
439190
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004569 Inositol D-Glucuronic acid Unclear Unclear [3]
MR004570 D-Glucuronic acid D-xylulose-5-phosphate Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Inositol dehydrogenase (idh) DME1177 Lactobacillus casei
A0A0J9X1Y2_LACCB
1.1.1.18
[2]
Inositol dehydrogenase (idh) DME1178 Lactobacillus casei
IOLG_LACCA
1.1.1.18
[2]
References
1 ClinicalTrials.gov (NCT04306692) Myo-inositol Versus Clomiphene Citrate in PCOS
2 Purification, crystallization and room-temperature X-ray diffraction of inositol dehydrogenase LcIDH2 from Lactobacillus casei BL23. Acta Crystallogr F Struct Biol Commun. 2014 Jul;70(Pt 7):979-83.
3 Potential role and therapeutic interests of myo-inositol in metabolic diseases

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