21V

N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid



Chemical Component Summary

NameN-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid
Synonyms5,10-dideazatetrahydrofolic acid
Identifiers(2S)-2-[[4-[2-[(6S)-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid
FormulaC21 H25 N5 O6
Molecular Weight443.453
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1
InChIKeyZUQBAQVRAURMCL-WFASDCNBSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count2
Bond Count59
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04322 
NameLY249543
Groups experimental
SynonymsLY249543

Drug Targets

NameTarget SequencePharmacological ActionActions
C-1-tetrahydrofolate synthase, cytoplasmicMAPAEILNGKEISAQIRARLKNQVTQLKEQVPGFTPRLAILQVGNRDDSN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445072, 135409836, 5288680