Chemical Component Summary

Name[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID
SynonymsLY374571
Identifiers(2S)-2-[[4-[(2,5-diamino-6-hydroxy-pyrimidin-4-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
FormulaC17 H19 N7 O7
Molecular Weight433.375
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N
InChIInChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1
InChIKeySZHRIPFGZWWRKW-VIFPVBQESA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count1
Bond Count51
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB02358 
NameLY374571
Groups experimental
SynonymsLY374571

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 135461001, 445076, 5288683