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Substrate Report for: Temocapril

Temocapril is a prodrug-type angiotensin-I converting enzyme (ACE) inhibitor. Temocapril can also be used in hemodialysis patients without risk of serious accumulation


General
Type Not A/B H target, Pro-Drug, Drug, Angiotensin-converting enzyme inhibitor, Azepane
Chemical_Nomenclature 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Canonical SMILES CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3
InChI InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)
InChIKey FIQOFIRCTOWDOW-UHFFFAOYSA-N
Other name(s) ACMC-20bntp ; AC1L1K98 ; CHEMBL3303989
________________________________________________________________________________________________
MW|476.60
Formula|C23H28N2O5S2
CAS_number|111902-57-9
PubChem|5393
UniChem|FIQOFIRCTOWDOW-UHFFFAOYSA-N
IUPHAR|
Wikipedia|Temocapril

Target
Families | Temocapril ligand of proteins in family: Carb_B_Chordata

References:
Search PubMed for references concerning: Temocapril
    Title: Prediction of human intestinal absorption of the prodrug temocapril by in situ single-pass perfusion using rat intestine with modified hydrolase activity
    Nozawa T, Imai T
    Ref: Drug Metabolism & Disposition: The Biological Fate of Chemicals, 39:1263, 2011 : PubMed

            

    Title: Evaluation of transport mechanism of prodrugs and parent drugs formed by intracellular metabolism in Caco-2 cells with modified carboxylesterase activity: temocapril as a model case
    Ohura K, Nozawa T, Murakami K, Imai T
    Ref: J Pharm Sci, 100:3985, 2011 : PubMed

            

    Title: Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study
    Vistoli G, Pedretti A, Mazzolari A, Bolchi C, Testa B
    Ref: Chem Biodivers, 6:2092, 2009 : PubMed