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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63616
http://purl.obolibrary.org/obo/CHEBI_63616
|
|---|---|
| Preferred Name | pemetrexed |
| Synonyms |
N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid
C20H21N5O6
pemetrexed
(2R)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | pemetrexed
|
|---|---|
| label | pemetrexed
|
| DBSynonym |
ly231514
pemetrexed disodium
|
| ATCCode | L01BA04
|
| Definition | An N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).
|
| has pharmacological target | |
| induces | |
| inhibits | |
| type | |
| has role | |
| InChIKey |
InChIKey=WBXPDJSOTKVWSJ-CYBMUJFWSA-N
InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
|
| AHFScode | 10:00.00
|
| Synonym | N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid
C20H21N5O6
pemetrexed
(2R)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
|
| xref |
KEGG DRUG:D07472
Drugs Product Database (DPD):2253437
PubChem Substance:46505640
ChemSpider:54830
CiteXplore:22134068
Wikipedia:Pemetrexed
CiteXplore:21900836
CiteXplore:22240216
PubChem Compound:60843
CiteXplore:22201521
CiteXplore:22237209
CiteXplore:21129871
CiteXplore:21937141
CiteXplore:22244076
Patent:EP432677
National Drug Code Directory:0002-7640-01
CiteXplore:22258853
RxList:http://www.rxlist.com/cgi/generic3/alimta.htm
PDB:LYA
CiteXplore:22021325
CASRN:137281-23-3
Reaxys:9097855
Drugs.com:http://www.drugs.com/cdi/pemetrexed.html
Wikipedia:http://en.wikipedia.org/wiki/Pemetrexed
Patent:US5344932
CiteXplore:22124474
CiteXplore:22223137
PharmGKB:PA10810
DrugBank:DB00642
CiteXplore:22116317
CiteXplore:21831719
CiteXplore:22243773
See more
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|
| CASRN | 150399-23-8
|
| prefixIRI | obo2:CHEBI_63616
|
| SMILES |
NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1
Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1
|
| DBname | pemetrexed
|
| InChI | InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1
|
| DBBrand | alimta
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
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