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

General Information of Drug (ID: DR0901)
Drug Name
Ixazomib
Synonyms
Ixazomib; Ixazomib (MLN2238); Ixazomib (USAN); Ixazomib Impurity; Ixazomib [INN]; Ixazomib [USAN:INN]; Ixazomib(MLN2238); Ixozamib; MLN 2238; MLN-2238; MLN2238; MLN2238(Ixazomib); SCHEMBL3742758; (R)-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)boronic acid; (R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic acid; 1072833-77-2; 71050168A2; C14H19BCl2N2O4; CHEBI:90942; CHEMBL2141296; CTK4A5116; EX-A547; GTPL8450; KS-00000PQX; UNII-71050168A2
Indication Amyloidosis [ICD11: 5D00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 361 Topological Polar Surface Area 98.7
Heavy Atom Count 23 Rotatable Bond Count 7
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
25183872
PubChem SID
57291607 ; 85029113 ; 104253504 ; 124757626 ; 124955652 ; 125164430 ; 135268985 ; 135626848 ; 136340279 ; 136348738 ; 136367593 ; 138100925 ; 144116241 ; 152134539 ; 162011779 ; 162037798 ; 162202726 ; 162773434 ; 163326535 ; 163347633 ; 163908014 ; 164193936 ; 164834143 ; 174007116 ; 174526063 ; 177748936 ; 184814067 ; 198939582 ; 203355961 ; 210274689 ; 210280323 ; 223389604 ; 229732516 ; 248181513 ; 249810660 ; 252110098 ; 252166660 ; 252213184 ; 252443130
ChEBI ID
CHEBI:90942
CAS Number
1072833-77-2
TTD Drug ID
D01MML
Formula
C14H19BCl2N2O4
Canonical SMILES
B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O
InChI
1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKey
MXAYKZJJDUDWDS-LBPRGKRZSA-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
Ixazomib metabolite M1 DM001059
20119565
Hydrolysis - Hydrolysis 1 [4]
Ixazomib metabolite M2 DM001058
60668319
Hydrolysis - Hydrolysis 1 [4]
Ixazomib metabolite M20 DM001062
22290
Oxidation - Oxidation 1 [4]
Ixazomib metabolite M3 DM001061
5784
Hydrolysis - Hydrolysis 1 [4] , [5]
Ixazomib metabolite M5 DM001057
156613621
Hydrolysis - Hydrolysis 1 [4]
Ixazomib metabolite M6 DM001060
156596902
Unclear 1 [4]
ML790286 DM001063
156613539
Oxidation - Dehydrogenation 1 [6]
Ixazomib metabolite M1 DM001059
20119565
Unclear 2 [4]
Ixazomib metabolite M2 DM001058
60668319
Unclear 2 [4]
Ixazomib metabolite M6 DM001060
156596902
Unclear 2 [4]
Ixazomib metabolite M1 DM001059
20119565
Unclear 3 [4]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001299 Ixazomib Ixazomib metabolite M5 Hydrolysis - Hydrolysis CYP [4]
MR001300 Ixazomib Ixazomib metabolite M2 Hydrolysis - Hydrolysis Unclear [4]
MR001301 Ixazomib Ixazomib metabolite M1 Hydrolysis - Hydrolysis Unclear [4]
MR001302 Ixazomib Ixazomib metabolite M6 Unclear CYP [4]
MR001303 Ixazomib Ixazomib metabolite M3 Hydrolysis - Hydrolysis Unclear [4], [5]
MR001304 Ixazomib Ixazomib metabolite M20 Oxidation - Oxidation Unclear [4]
MR001305 Ixazomib ML790286 Oxidation - Dehydrogenation Unclear [6]
MR001296 Ixazomib metabolite M5 Ixazomib metabolite M2 Unclear Unclear [4]
MR001297 Ixazomib metabolite M5 Ixazomib metabolite M6 Unclear Unclear [4]
MR001298 Ixazomib metabolite M2 Ixazomib metabolite M1 Unclear Unclear [4]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
References
1 Ixazomib was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Phase 1/2 trial of ixazomib, cyclophosphamide and dexamethasone in patients with previously untreated symptomatic multiple myeloma. Blood Cancer J. 2018 Jul 30;8(8):70.
3 Ninlaro- European Medicines Agency - European Union
4 Biotransformation of [(14)C]-ixazomib in patients with advanced solid tumors: characterization of metabolite profiles in plasma, urine, and feces Cancer Chemother Pharmacol. 2018 Nov;82(5):803-814. doi: 10.1007/s00280-018-3671-z.
5 Proteasome Inhibitors and Their Pharmacokinetics, Pharmacodynamics, and Metabolism Int J Mol Sci. 2021 Oct 27;22(21):11595. doi: 10.3390/ijms222111595.
6 U. S. FDA Label -Ixazomib

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