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

General Information of Drug (ID: DR0859)
Drug Name
TA-6366
Prodrug Info TA-6366 is the prodrug of Imidaprilat
Synonyms
Hipertene (TN); Imidapril (INN); Imidapril HCl; Imidapril [BAN:INN]; Imidapril [INN:BAN]; Imidaprilum; Imidaprilum [INN-Latin]; Novaloc; Tanatril; imidapril; lmidaprfil; (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid; (S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylic acid; 89371-37-9; BW7H1TJS22; C20H27N3O6; CHEMBL317094; MFCD00923828; NCGC00181342-01; UNII-BW7H1TJS22
Indication Essential hypertension [ICD11: BA00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 405.4 Topological Polar Surface Area 116
Heavy Atom Count 29 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5464343
ChEBI ID
CHEBI:135654
CAS Number
89371-37-9
Formula
C20H27N3O6
Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O
InChI
1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
InChIKey
KLZWOWYOHUKJIG-BPUTZDHNSA-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
Imidaprilat DM006010
5464344
Hydrolysis - Hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006471 TA-6366 Imidaprilat Hydrolysis - Hydrolysis CES1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Carboxylesterase 1 (CES1) DME0054 Homo sapiens
EST1_HUMAN
3.1.1.1
[2]
References
1 ClinicalTrials.gov (NCT01230034) Antiproteinuric Effect of Imidapril Versus Ramipril in Type 2 Diabetic and Hypertensive Patients With Microalbuminuria.
2 Inhibition of human liver carboxylesterase (hCE1) by organophosphate ester flame retardants and plasticizers: implications for pharmacotherapy. Toxicol Sci. 2019 Jul 3. pii: kfz149.

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