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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Id | http://purl.obolibrary.org/obo/CHEBI_40237
http://purl.obolibrary.org/obo/CHEBI_40237
|
|---|---|
| Preferred Name | sitagliptin |
| Synonyms |
MK-0431
sitagliptina
sitagliptine
(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
sitagliptinum
sitagliptin
C16H15F6N5O
(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
sitagliptin
|
|---|---|
| prefLabel |
sitagliptin
|
| is metabolised by | |
| is transported by | |
| Definition |
A triazolopyrazine that has formula C16H15F6N5O.
|
| DBBrand |
januvia
xelevia
januvia (merck and co.)
|
| ATCCode |
A10BH01
|
| SMILES |
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F
|
| InChI |
InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
|
| CASRN |
486460-32-6
|
| prefixIRI |
obo2:CHEBI_40237
|
| Synonym |
MK-0431
sitagliptina
sitagliptine
(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
sitagliptinum
sitagliptin
C16H15F6N5O
(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
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|
| has effect |
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|
| binds | |
| has role | |
| DBname |
sitagliptin
|
| InChIKey |
InChIKey=MFFMDFFZMYYVKS-SECBINFHSA-N
|
| subClassOf | |
| may interact with | |
| inhibits | |
| is substrate of | |
| type | |
| xref |
National Drug Code Directory:0006-0221-31
Wikipedia:Sitagliptin
ChEBI:40237
CiteXplore:24041927
ChemSpider:3571948
CiteXplore:23927568
CiteXplore:23286208
RxList:http://www.rxlist.com/cgi/generic/januvia.htm
CASRN:486460-32-6
Beilstein:9962060
PharmGKB:PA164748978
Drugs.com:http://www.drugs.com/cdi/sitagliptin.html
BindingDB:13513
KEGG DRUG:D08516
PubChem Substance:46505822
Wikipedia:http://en.wikipedia.org/wiki/Sitagliptin
CiteXplore:23331339
DrugBank:DB01261
Reaxys:9962060
PubChem Compound:4369359
CiteXplore:24039399
PDBeChem:715
CiteXplore:23432786
CiteXplore:23489256
PDB:715
HMDB:HMDB15390
ChEMBL:463589
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|
| DBSynonym |
sitagliptan
mk-0431
sitagliptin phosphate
|
| has pharmacological target |
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