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

General Information of Drug (ID: DR5073)
Drug Name
Etomidate
Synonyms
Absele; Amidate; Ethnor; Ethomidate; Etomidato; Etomidatum; Hypnomidate; Radenarcon; Radenarkon; Etomidic acid; R 16659; R 26490; R26490; Amidate (TN); Amidate (pharmaceutical); Amidate, Etomidate; D-Etomidate; Etomidato [INN-Spanish]; Etomidatum [INN-Latin]; R-26490; Etomidate (USAN/INN); Etomidate [USAN:BAN:INN]; Ethyl 3-(1-phenylethyl)imidazole-4-carboxylate; Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate; R-(+)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate; (+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate; (+)-Etomidate; (R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-carboxylic acid ethyl ester; (d)-Etomidate; 1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester; 1-(1-Phenylethyl)-imidazole-5-carboxylic acid, ethyl ester; 1-(alpha-Methylbenzyl)-1H-imidazole-5-carboxylic acid ethyl ester; 1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, ethyl ester; 3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester
Indication Anaesthesia [ICD11: 9A76-9A78] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 244.29 Topological Polar Surface Area 44.1
Heavy Atom Count 18 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
667484
ChEBI ID
CHEBI:4910
CAS Number
33125-97-2
TTD Drug ID
D02YPG
Formula
C14H16N2O2
Canonical SMILES
CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey
NPUKDXXFDDZOKR-LLVKDONJSA-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
ETA DM015346
759856
Hydrolysis - Hydrolyzation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008759 Etomidate ETA Hydrolysis - Hydrolyzation LE [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Liver esterases (LE) DMEN062 . Not Available Not Available [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5463).
2 Simultaneous Determination of Etomidate and Its Major Metabolite, Etomidate Acid, in Urine Using Dilute and Shoot Liquid Chromatography-Tandem Mass Spectrometry

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