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

General Information of Drug (ID: DR0429)
Drug Name
Deferasirox
Synonyms
Deferasirox; Deferasirox (Exjade); Deferasiroxum; Deferasiroxum [INN-Latin]; Exjade; V8G4MOF2V9; 201530-41-8; 4-(3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid; 4-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid; 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid; Benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]-; C21H15N3O4; CGP-72670; CHEBI:49005; DSSTox_CID_28522; DSSTox_RID_82794; ICL 670; ICL 670A; ICL-670; ICL-670A; ICL670; ICL670A; NCGC00181754-01; UNII-V8G4MOF2V9
Indication Hyperphosphatemia [ICD11: 5C64] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 373.4 Topological Polar Surface Area 109
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
214348
ChEBI ID
CHEBI:49005
CAS Number
C(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O
Formula
C21H15N3O4
Canonical SMILES
C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O
InChI
C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O
InChIKey
BOFQWVMAQOTZIW-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
Deferasirox metabolite M1 DM001944
135449920
Oxidation - Hydroxylation 1 [3] , [4]
Deferasirox metabolite M3 DM001946
135565398
Conjugation - Glucuronidation 1 [3]
Deferasirox metabolite M6 DM001948
135566034
Conjugation - O-Glucuronidation 1 [3]
Exjade Metabolite M2 DM001947
135433062
Oxidation - Hydroxylation 1 [3] , [4]
Exjade Metabolite M4 DM001949
135453359
Conjugation - O-Glucuronidation 1 [5]
Deferasirox metabolite M7 DM001945
135565936
Conjugation - Sulfation 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000754 Deferasirox Deferasirox metabolite M1 Oxidation - Hydroxylation CYP [3], [4]
MR000755 Deferasirox Deferasirox metabolite M3 Conjugation - Glucuronidation UGT1A3 ... [3]
MR000756 Deferasirox Deferasirox metabolite M2 Oxidation - Hydroxylation CYP [3], [4]
MR000757 Deferasirox Deferasirox metabolite M6 Conjugation - O-Glucuronidation Unclear [3]
MR000758 Deferasirox Deferasirox metabolite M4 Conjugation - O-Glucuronidation CYP2D6 [5]
MR000753 Deferasirox metabolite M1 Deferasirox metabolite M7 Conjugation - Sulfation Unclear [4]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
References
1 Deferasirox was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Deferasirox pharmacogenetic influence on pharmacokinetic, efficacy and toxicity in a cohort of pediatric patients. Pharmacogenomics. 2017 Apr;18(6):539-554.
3 Pharmacokinetics, metabolism, and disposition of deferasirox in beta-thalassemic patients with transfusion-dependent iron overload who are at pharmacokinetic steady state Drug Metab Dispos. 2010 May;38(5):808-16. doi: 10.1124/dmd.109.030833.
4 Pharmacokinetics, distribution, metabolism, and excretion of deferasirox and its iron complex in rats Drug Metab Dispos. 2008 Dec;36(12):2523-38. doi: 10.1124/dmd.108.022962.
5 Kinetics of deamination of 5-aza-2'-deoxycytidine and cytosine arabinoside by human liver cytidine deaminase and its inhibition by 3-deazauridine, thymidine or uracil arabinoside Biochem Pharmacol. 1983 Apr 1;32(7):1327-8. doi: 10.1016/0006-2952(83)90293-9.

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