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 |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_63616 |
|
AHFScode |
10:00.00 |
|
ATCCode |
L01BA04 |
|
CASRN |
150399-23-8 |
|
DBBrand |
alimta |
|
DBname |
pemetrexed |
|
DBSynonym |
ly231514 pemetrexed disodium |
|
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 |
http://purl.obolibrary.org/obo/dinto_4286 http://purl.obolibrary.org/obo/dinto_0811 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50683 http://purl.obolibrary.org/obo/CHEBI_63720 |
|
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 |
|
InChIKey |
InChIKey=WBXPDJSOTKVWSJ-CYBMUJFWSA-N InChIKey=WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
|
induces | ||
inhibits |
http://purl.obolibrary.org/obo/dinto_4286 http://purl.obolibrary.org/obo/dinto_0811 |
|
label |
pemetrexed |
|
prefixIRI |
obo2:CHEBI_63616 |
|
prefLabel |
pemetrexed |
|
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 |
|
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 |
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subClassOf |