Detailed information for compound 1244730

Basic information

Technical information
  • TDR Targets ID: 1244730
  • Name: 2-[[4-[(2S)-2-acetamido-3-oxo-3-(pentylamino) propyl]naphthalen-1-yl]-oxaloamino]benzoic ac id
  • MW: 533.572 | Formula: C29H31N3O7
  • H donors: 4 H acceptors: 7 LogP: 4.32 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c1ccccc1C(=O)O)C(=O)C(=O)O)NC(=O)C
  • InChi: 1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)/t23-/m0/s1
  • InChiKey: UESXELNYBIOROE-QHCPKHFHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-[(2S)-2-acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl]-oxalo-amino]benzoic acid
  • 2-[[4-[(2S)-2-acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl]-oxaloamino]benzoic acid
  • 2-[[4-[(2S)-2-acetamido-3-(amylamino)-3-keto-propyl]-1-naphthyl]-oxalo-amino]benzoic acid
  • 2-[[4-[(2S)-2-acetamido-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl]-(carboxycarbonyl)amino]benzoic acid
  • 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID
  • COMPOUND 12, N-ACETYL-4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-N-PENTYL-1-NAPTHYLALANIAMIDE

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, non-receptor type 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative Get druggable targets OG5_133865 All targets in OG5_133865
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum expressed protein Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 Get druggable targets OG5_133865 All targets in OG5_133865
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_133865 All targets in OG5_133865
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_133865 All targets in OG5_133865
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
Onchocerca volvulus 0.0021 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0407 0.1806
Brugia malayi hypothetical protein 0.0035 0.0073 0.0324
Schistosoma mansoni hypothetical protein 0.0164 0.0778 0.3454
Onchocerca volvulus 0.0021 0 0.5
Giardia lamblia Protein tyrosine phosphatase 0.0021 0 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0073 0.0324
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0407 0.1806
Leishmania major tyrosine specific protein phosphatase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma brucei protein tyrosine phosphatase 1 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.0778 0.3454
Onchocerca volvulus 0.0021 0 0.5
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0021 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0407 0.0407
Entamoeba histolytica hypothetical protein 0.0035 0.0073 1
Entamoeba histolytica hypothetical protein 0.0035 0.0073 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0434 0.2251 0.2251
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0407 0.0407
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0073 0.0324
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0407 0.1269
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0407 0.1806
Trichomonas vaginalis pten, drome, putative 0.0021 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0407 0.1269
Echinococcus granulosus geminin 0.0164 0.0778 0.2426
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0434 0.2251 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0434 0.2251 1
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0434 0.2251 0.7022
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0021 0 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0609 0.3206 0.3206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0407 0.1806
Entamoeba histolytica hypothetical protein 0.0035 0.0073 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0073 0.0227
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0609 0.3206 1
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0073 0.0073
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0609 0.3206 1
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0407 0.1806
Entamoeba histolytica hypothetical protein 0.0035 0.0073 1
Echinococcus multilocularis geminin 0.0164 0.0778 0.0778
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0434 0.2251 1
Onchocerca volvulus 4.1 G protein, putative homolog 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5

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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