monastrol (CHEBI:75382)

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ChEBI Name	monastrol

ChEBI ID	CHEBI:75382

Definition	A racemate comprising equimolar amounts of R- and S-monastrol.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C14H16N2O3S

Net Charge

Average Mass

292.35300

Monoisotopic Mass

292.08816

InChI

InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)

InChIKey

LOBCDGHHHHGHFA-UHFFFAOYSA-N

SMILES

CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1

Roles Classification
Biological Role(s):	EC 3.5.1.5 (urease) inhibitor EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the activity of urease (EC 3.5.1.5), reducing hydrolysis. antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antimitotic Any compound that inhibits cell division (mitosis).

Application(s):	antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	monastrol (CHEBI:75382) has part (R)-monastrol (CHEBI:75383) monastrol (CHEBI:75382) has part (S)-monastrol (CHEBI:75384) monastrol (CHEBI:75382) has role antileishmanial agent (CHEBI:70868) monastrol (CHEBI:75382) has role antimitotic (CHEBI:64911) monastrol (CHEBI:75382) has role antineoplastic agent (CHEBI:35610) monastrol (CHEBI:75382) has role EC 3.5.1.5 (urease) inhibitor (CHEBI:50635) monastrol (CHEBI:75382) is a racemate (CHEBI:60911)

IUPAC Name

rac-ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Registry Number	Type	Source
8495831	Reaxys Registry Number	Reaxys

Last Modified

25 April 2019