loading...| 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 pemetrexed |
|
| Definitions |
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). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63616 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22021325 Wikipedia:Pemetrexed PMID:22258853 PMID:22243773 KEGG:D07472 PMID:21900836 PMID:22223137 PMID:21831719 Patent:EP432677 PMID:22244076 PMID:22240216 Reaxys:9097855 PMID:22134068 PMID:22237209 Patent:US5344932 LINCS:LSM-6353 PMID:22201521 CAS:137281-23-3 PMID:21129871 DrugBank:DB00642 PMID:22116317 PMID:22124474 PMID:21937141 |
|
| 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). |
|
| formula |
C20H21N5O6 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50683 http://purl.obolibrary.org/obo/CHEBI_63720 |
|
| has_exact_synonym |
N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
pemetrexed |
|
| id |
CHEBI:63616 |
|
| in_subset | ||
| 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 |
|
| inchikey |
WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
|
| is conjugate acid of | ||
| label |
pemetrexed |
|
| mass |
427.41060 |
|
| monoisotopicmass |
427.14918 |
|
| notation |
CHEBI:63616 |
|
| prefLabel |
pemetrexed |
|
| smiles |
Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 |
|
| treeView | ||
| subClassOf |