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

General Information of Drug (ID: DR1126)
Drug Name
Naloxegol oxalate
Synonyms
Naloxegol (oxalate); Naloxegol Oxalate(NKTR-118); Naloxegol oxalate; Naloxegol oxalate (USAN); Naloxegol oxalate [USAN]; 1354744-91-4; 65I14TNM33; AZ-13337019 oxalate; AZ13337019 oxalate; CHEMBL2219416; DTXSID50159395; HY-A0118A; SCHEMBL20839999; UNII-65I14TNM33; Movantik (TN); Moventig (TN); NKTR-118 oxalate; NKTR-118-oxalate
Indication Opioid-induced constipation [ICD11: DB32] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 741.8 Topological Polar Surface Area 201
Heavy Atom Count 52 Rotatable Bond Count 25
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
56959086
CAS Number
1354744-91-4
TTD Drug ID
D07LCF
Formula
C36H55NO15
Canonical SMILES
COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC=C)O.C(=O)(C(=O)O)O
InChI
1S/C34H53NO11.C2H2O4/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2;3-1(4)2(5)6/h3-5,28-29,32,36-37H,1,6-25H2,2H3;(H,3,4)(H,5,6)/t28-,29+,32-,33-,34+;/m0./s1
InChIKey
MNYIRXLCPODKLG-VUTNLTPYSA-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
Carboxymethyl-PEG6-Naloxol DM005439
155929030
Oxidation - Oxidationn 1 [3] , [2]
HO-PEG4-Naloxol DM005437 N. A. Oxidation - Hydrolyzationn 1 [3] , [2]
HO-PEG5-Naloxol DM005435
156596399
Oxidation - Hydrolyzationn 1 [3] , [2]
N-Dealkylated-mPEG7-Naloxol DM005440 N. A. Oxidation - N-dealkylation 1 [3]
Carboxymethyl-PEG3-Naloxol DM005438
156596519
Oxidation - Oxidationn 2 [3] , [2]
Carboxymethyl-PEG4-Naloxol DM005436
156596385
Oxidation - Oxidationn 2 [3] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005776 Naloxegol oxalate HO-PEG5-Naloxol Oxidation - Hydrolyzationn CYP3A4 [3], [2]
MR005778 Naloxegol oxalate HO-PEG4-Naloxol Oxidation - Hydrolyzationn CYP3A4 [3], [2]
MR005780 Naloxegol oxalate Carboxymethyl-PEG6-Naloxol Oxidation - Oxidationn CYP3A4 [3], [2]
MR005781 Naloxegol oxalate N-Dealkylated-mPEG7-Naloxol Oxidation - N-dealkylation Unclear [3]
MR005779 HO-PEG4-Naloxol Carboxymethyl-PEG3-Naloxol Oxidation - Oxidationn Unclear [3], [2]
MR005777 HO-PEG5-Naloxol Carboxymethyl-PEG4-Naloxol Oxidation - Oxidationn Unclear [3], [2]
⏷ 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
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Naloxegol Oxalate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Naloxegol: treatment for opioid-induced constipation in chronic non-cancer pain. Ann Pharmacother. 2015 Mar;49(3):360-5.
3 Absorption, distribution, metabolism, and excretion of [14C]-labeled naloxegol in healthy subjects

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