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

General Information of Drug (ID: DR1128)
Drug Name
Naltrexone
Synonyms
Naltrexona; Naltrexona [INN-Spanish]; Naltrexone [USAN:INN:BAN]; Naltrexone hydrochloride; Naltrexonum; Naltrexonum [INN-Latin]; Celupan; PTI-555; UM-792; Vivitrex; Vivitrol; naltrexone; (-)-Naltrexone; 16590-41-3; 17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one; 17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one; 5S6W795CQM; BRN 3596648; CCRIS 3506; CHEBI:7465; EINECS 240-649-9; HSDB 6750; N-Cyclopropylmethyl-14-hydroxydihydromorphinone; N-Cyclopropylmethylnoroxymorphone; ReVia; UNII-5S6W795CQM
Indication Alcohol dependence [ICD11: 6C40] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 341.4 Topological Polar Surface Area 70
Heavy Atom Count 25 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5360515
PubChem SID
9462 ; 596067 ; 11466144 ; 11467264 ; 11485807 ; 11653758 ; 14753731 ; 14875729 ; 39383995 ; 46505333 ; 47206838 ; 47350797 ; 47647883 ; 47722000 ; 48095907 ; 48170809 ; 48244798 ; 49698353 ; 49993104 ; 53787920 ; 57362014 ; 80591843 ; 85787880 ; 92308967 ; 93166563 ; 93815010 ; 103915329 ; 104222111 ; 124886894 ; 124886895 ; 127334962 ; 127334963 ; 127334964 ; 127334965 ; 127334966 ; 127770775 ; 131283791 ; 134337689 ; 134993601 ; 135650687 ; 137001356 ; 141566780 ; 143492741 ; 144205560 ; 152134015 ; 152233304 ; 152258923 ; 160647768 ; 160964048 ; 166653673
ChEBI ID
CHEBI:7465
CAS Number
16590-41-3
TTD Drug ID
D0PG8O
Formula
C20H23NO4
Canonical SMILES
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O
InChI
1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
InChIKey
DQCKKXVULJGBQN-XFWGSAIBSA-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
6-beta-naltrexol DM004529
631219
Unclear 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004856 Naltrexone 6-beta-naltrexol Unclear HSD17B1 [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Estradiol 17-beta-dehydrogenase 1 (HSD17B1) DME0420 Homo sapiens
DHB1_HUMAN
1.1.1.62
[2] , [3]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[4]
References
1 Naltrexone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Transfer of naltrexone and its metabolite 6,beta-naltrexol into human milk
3 Naltrexone metabolism and concomitant drug concentrations in chronic pain patients
4 In vivo chronic exposure to heroin or naltrexone selectively inhibits liver microsome formation of estradiol-3-glucuronide in the rat. Biochem Pharmacol. 2008 Sep 1;76(5):672-9.

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