Detailed information for compound 539846

Basic information

Technical information
  • TDR Targets ID: 539846
  • Name: (2S)-2-[[4-[(6aR,10aS)-3-amino-1-oxo-4,5,6,6a ,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naph thyridin-9-yl]benzoyl]amino]pentanedioic acid
  • MW: 470.478 | Formula: C22H26N6O6
  • H donors: 6 H acceptors: 6 LogP: -0.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N1CC[C@@H]2[C@H](C1)c1c(NC2)[nH]c(nc1=O)N
  • InChi: 1S/C22H26N6O6/c23-22-26-18-17(20(32)27-22)14-10-28(8-7-12(14)9-24-18)13-3-1-11(2-4-13)19(31)25-15(21(33)34)5-6-16(29)30/h1-4,12,14-15H,5-10H2,(H,25,31)(H,29,30)(H,33,34)(H4,23,24,26,27,32)/t12-,14-,15-/m0/s1
  • InChiKey: MUNDNNLSVBKBJD-QEJZJMRPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[[4-[(6aR,10aS)-3-amino-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl]phenyl]-oxomethyl]amino]pentanedioic acid
  • (2S)-2-[[4-[(6aR,10aS)-3-azanyl-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl]phenyl]carbonylamino]pentanedioic acid
  • (2S)-2-[[4-[(6aR,10aS)-3-amino-1-keto-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl]benzoyl]amino]glutaric acid
  • 5,11-methylenetetrahydro-5-deazahomofolic acid
  • 130985-82-9
  • 5,11-Mtdhf
  • L-Glutamic acid, N-(4-(3-amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2H)-yl)benzoyl)-, (6aR-cis)-
  • N-(4-(3-Amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2H)-yl)benzoyl)-L-glutamic acid (6aR-cis)-
  • (6aR-cis)-N-(4-(3-Amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2H)-yl)benzoyl)-L-glutamic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0145 0.2441 0.2441
Toxoplasma gondii fructose-bisphospatase II 0.0181 0.3206 1
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0145 0.2441 0.2441
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0064 0.0699 0.0699
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0181 0.3206 0.5
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0064 0.0699 0.0699
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0181 0.3206 1
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0495 1 1
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0495 1 1
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0067 0.0758 0.0237
Plasmodium falciparum carbamoyl phosphate synthetase 0.0064 0.0699 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0181 0.3206 0.5
Leishmania major 0.0181 0.3206 1
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0064 0.0699 0.5
Onchocerca volvulus 0.0032 0 0.5
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0181 0.3206 1
Toxoplasma gondii fructose-bisphospatase I 0.0067 0.0758 0.0237
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0181 0.3206 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0181 0.3206 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0181 0.3206 0.5
Brugia malayi fructose-1,6-bisphosphatase 0.0181 0.3206 0.5
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0145 0.2441 0.2441
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0495 1 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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