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

General Information of Drug (ID: DR1210)
Drug Name
Oxaliplatin
Synonyms
Oxaliplatin (Eloxatin); Oxaliplatin (JAN/USAN/INN); SC-17287; SCHEMBL4859; SW219151-1; 15171-EP2272827A1; 15171-EP2292617A1; 15171-EP2295055A2; Eloxatin (TN); 15171-EP2295416A2; 15171-EP2295427A1; 15171-EP2298748A2; 15171-EP2298764A1; 15171-EP2298765A1; 15171-EP2298768A1; 15171-EP2298778A1; 15171-EP2298780A1; 15171-EP2305642A2; 15171-EP2305671A1; 15171-EP2308855A1; 15171-EP2311453A1; 15171-EP2311825A1; 15171-EP2311829A1; 15171-EP2311840A1; 15171-EP2316832A1; 15171-EP2316833A1; AB01568250_01; AKOS015920125; BR-72813; D01790; O0372; s1224
Indication Colorectal cancer [ICD11: 2B91] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 397.3 Topological Polar Surface Area 132
Heavy Atom Count 15 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
9887054
PubChem SID
7848852 ; 14854529 ; 14903423 ; 24173438 ; 45633994 ; 57373686 ; 78790585 ; 125309438 ; 127301221 ; 127301222 ; 127301223 ; 127301224 ; 127301225 ; 127301226 ; 127301227 ; 127301228 ; 127301229 ; 127301230 ; 127301231 ; 127301232 ; 127301233 ; 127301234 ; 127301235 ; 127301236 ; 127301237 ; 127301238 ; 127301239 ; 127301240 ; 127301241 ; 127301242 ; 127301243 ; 127301244 ; 127301245 ; 127301246 ; 135684119 ; 137001870 ; 152059544 ; 162036207 ; 164196639 ; 174477519 ; 226396770 ; 251885690 ; 252156659 ; 252316548
ChEBI ID
CHEBI:90844
CAS Number
61825-94-3
TTD Drug ID
D0Y3ME
Formula
C8H14N2O4Pt
Canonical SMILES
C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+2]
InChI
1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
InChIKey
ZROHGHOFXNOHSO-BNTLRKBRSA-L
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
Oxalate DM002325
71081
Unclear 1 [4] , [5] , [6] , [7]
Pt(DACH) Cl2 DM002324
22998366
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001861 Oxaliplatin Pt(DACH) Cl2 Unclear Unclear [4]
MR001862 Oxaliplatin Oxalate Unclear Unclear [4], [5], [6], [7]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 1B1 (CYP1B1) DME0023 Homo sapiens
CP1B1_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
Glutathione S-transferase mu-1 (GSTM1) DME0308 Homo sapiens
GSTM1_HUMAN
2.5.1.18
[3]
Glutathione S-transferase pi (GSTP1) DME0088 Homo sapiens
GSTP1_HUMAN
2.5.1.18
[3]
Glutathione S-transferase theta-1 (GSTT1) DME0093 Homo sapiens
GSTT1_HUMAN
2.5.1.18
[3]
Metallothionein-1A (MT1A) DME0094 Homo sapiens
MT1A_HUMAN
1.8.5.1
[3]
Metallothionein-2A (MT2A) DME0095 Homo sapiens
MT2_HUMAN
1.8.5.1
[3]
Myeloperoxidase (MPO) DME0096 Homo sapiens
PERM_HUMAN
1.11.2.2
[3]
Quinone reductase 1 (NQO1) DME0097 Homo sapiens
NQO1_HUMAN
1.6.5.2
[3]
Superoxide dismutase 1 (SOD1) DME0109 Homo sapiens
SODC_HUMAN
1.15.1.1
[3]
⏷ Show the Full List of 12  DME(s)
References
1 Oxaliplatin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
3 PharmGKB: A worldwide resource for pharmacogenomic information. Wiley Interdiscip Rev Syst Biol Med. 2018 Jul;10(4):e1417. (ID: PA150642262)
4 Roles of Transient Receptor Potential Ankyrin 1 in Oxaliplatin-Induced Peripheral Neuropathy Biol Pharm Bull. 2017;40(7):947-953. doi: 10.1248/bpb.b17-00243.
5 Analytical Methods for Oxalate Quantification: The Ubiquitous Organic Anion. Molecules. 2023 Apr 4;28(7):3206. doi: 10.3390/molecules28073206.
6 Protein-Based Delivery Systems for Anticancer Metallodrugs: Structure and Biological Activity of the Oxaliplatin/-Lactoglobulin Adduct. Pharmaceuticals (Basel). 2022 Mar 30;15(4):425. doi: 10.3390/ph15040425.
7 Nano-scale imaging of dual stable isotope labeled oxaliplatin in human colon cancer cells reveals the nucleolus as a putative node for therapeutic effect. Nanoscale Adv. 2020 Nov 26;3(1):249-262. doi: 10.1039/d0na00685h.

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