Chemical Component Summary

Name2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID
Synonyms(10R)-10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID
Identifiers(2S)-2-[[4-[(2R)-3-(2-amino-4-hydroxy-quinazolin-6-yl)-1-hydroxy-1-oxo-propan-2-yl]phenyl]carbonylamino]pentanedioic acid
FormulaC23 H22 N4 O8
Molecular Weight482.443
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17+/m1/s1
InChIKeyDAOQLLQRJAXMGY-PBHICJAKSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count2
Bond Count59
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB04264 
Name(10R)-10-formyl-5,8,10-trideazafolic acid
Groups experimental
Synonyms(10R)-10-formyl-5,8,10-trideazafolic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Phosphoribosylglycinamide formyltransferaseMNIVVLISGNGSNLQAIIDACKTNKIKGTVRAVFSNKADAFGLERARQAG...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 5289030, 135460968, 444729