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

General Information of Drug (ID: DR2809)
Drug Name
NSC-14983
Synonyms
Aspartic acid, N-carbamoyl-; Carbamoylaspartic acid; Carbamyl-L-aspartic acid; Carbamylaspartic acid; L-N-Carbamoylaspartic acid; L-Ureidosuccinate; L-Ureidosuccinic acid; N-(aminocarbonyl)-L-aspartic acid; N-Carbamoyl-L-aspartic acid; N-Carbamoyl-S-aspartic acid; N-Carbamoylaspartic acid; N-carbamoyl-L-aspartate; R2521024DK; Succinic acid, ureido-; Ureidosuccinate; carbamyl-aspartate; 13184-27-5; 2-Ureidobutanedioic acid; EINECS 236-134-3; L-Aspartic acid, N-(aminocarbonyl)-; NSC 14983; UNII-R2521024DK
Indication Dyslipidaemia [ICD11: 5C81] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 176.13 Topological Polar Surface Area 130
Heavy Atom Count 12 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
93072
ChEBI ID
CHEBI:15859
CAS Number
13184-27-5
Formula
C5H8N2O5
Canonical SMILES
C(C(C(=O)O)NC(=O)N)C(=O)O
InChI
1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey
HLKXYZVTANABHZ-REOHCLBHSA-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
NSC-14983 M1 PDM007510 N. A. Conjugation - Glycine conjugation 1 Human
NSC-14983 M2 PDM007511 N. A. Conjugation - Glycine conjugation 1 Human
NSC-14983 M3 PDM007512 N. A. Conjugation - N-Glucuronidation of amide 1 Human
NSC-14983 M4 PDM007513 N. A. Conjugation - Carnitine conjugation 1 Human
NSC-14983 M5 PDM007514 N. A. Conjugation - Carnitine conjugation 1 Human
NSC-14983 M6 PDM007515
54272689
Oxidation - alpha-Oxidation of carboxylic acid 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Dihydroorotase (pyrC) DME1829 Faecalicatena orotica
A0A2Y9B958_9FIRM
3.5.2.3
[2]
References
1 ClinicalTrials.gov (NCT03082794) Dietary Effects on Weight Loss and Lipid Profile in Sedentary Men
2 Enzyme elements involved in the interconversion of L-carbamylaspartate and L-dihydroorotate by dihydroorotase from Clostridium oroticum. Arch Biochem Biophys. 1985 Dec;243(2):447-53.

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