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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:75382 - monastrol
Main
ChEBI Ontology
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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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Read full article at Wikipedia
Formula
C14H16N2O3S
Net Charge
0
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.
View more via ChEBI Ontology
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
Manual Xrefs
Databases
CN101781259
Patent
LSM-1809
LINCS
Monastrol
Wikipedia
View more database links
Registry Number
Type
Source
8495831
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20519355
PubMed citation
Europe PMC
23292345
PubMed citation
Europe PMC
23727895
PubMed citation
Europe PMC
25300040
PubMed citation
Europe PMC
26035434
PubMed citation
Europe PMC
27592117
PubMed citation
Europe PMC
28314282
PubMed citation
Europe PMC
28612296
PubMed citation
Europe PMC
28683403
PubMed citation
Europe PMC
30015883
PubMed citation
Europe PMC
30108989
PubMed citation
Europe PMC
30151081
PubMed citation
Europe PMC
Last Modified
25 April 2019