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

General Information of Drug (ID: DR2260)
Drug Name
Aminoglutethimide
Synonyms
Aminoglutethimide (AG); Aminoglutethimide (USP/INN); Aminoglutethimide [INN:BAN]; Aminoglutethimidum; Aminoglutethimidum [INN-Latin]; Aminoglutetimida; Aminoglutetimida [INN-Spanish]; Cytadren; Cytadren (TN); Dl-Aminoglutethimide; Elipten; Glutethimide, para-amino; Orimeten; P-Aminoglutethimide; (+-)-3-(p-Aminophenyl)-3-ethyl-2,6-piperidinedione; (+/-)-p-AMINOGLUTETHIMIDE; (inverted question mark)-p-Aminoglutethimide; 2-(p-Aminophenyl)-2-ethylglutarimide; 3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion; 3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione; 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione; 3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione; 3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine; A 9657; AG-1; Alpha-(p-Aminophenyl)-alpha-ethylglutarimide; Ba 16038; Ba-16038; C 16038-BA; Ciba Vision Brand of Aminoglutethimide; Novartis Brand of Aminoglutethimide
Indication Cushing syndrome [ICD11: 5A70] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 232.28 Topological Polar Surface Area 72.2
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2145
PubChem SID
9819 ; 459146 ; 3206291 ; 4656527 ; 7847640 ; 7978687 ; 8149197 ; 8151456 ; 10321343 ; 10506109 ; 11336059 ; 11361298 ; 11362814 ; 11365376 ; 11367938 ; 11371432 ; 11373727 ; 11376100 ; 11407292 ; 11462270 ; 11466272 ; 11467392 ; 11483782 ; 11485983 ; 11487909 ; 11490112 ; 11491959 ; 11493854 ; 12012594 ; 15068844 ; 17404687 ; 24278142 ; 25623233 ; 26611601 ; 26679683 ; 26747446 ; 26747447 ; 26747448 ; 29221324 ; 46500462 ; 46506066 ; 46510177 ; 47216836 ; 47291191 ; 47291192 ; 47736545 ; 47810808 ; 48110505 ; 48259296 ; 48334561
ChEBI ID
CHEBI:2654
CAS Number
125-84-8
TTD Drug ID
D0M6DO
Formula
C13H16N2O2
Canonical SMILES
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKey
ROBVIMPUHSLWNV-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Aminoglutethimide M1 PDM007090
38050
Conjugation - N-Acetylation of arylamine 1 Gut microbial environment
Aminoglutethimide M2 PDM007091 N. A. Conjugation - Glucuronidation of primary aromatic amine 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1362 Bacteroides caccae Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1364 Bacteroides coprophilus Not Available Not Available [2]
References
1 Aminoglutethimide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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