Detailed information for compound 1812825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.298 | Formula: C15H16N2O5
  • H donors: 1 H acceptors: 5 LogP: 2.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CN(C(=O)/C/1=C(/c1cccc(c1)[N+](=O)[O-])\O)C(C)(C)C
  • InChi: 1S/C15H16N2O5/c1-15(2,3)16-8-11(18)12(14(16)20)13(19)9-5-4-6-10(7-9)17(21)22/h4-7,19H,8H2,1-3H3/b13-12-
  • InChiKey: GRCFORAIYKTEKC-SEYXRHQNSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0257 0.2025 0.5
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0135 0.0815 0.046
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0135 0.0815 0.5
Trypanosoma brucei acetyl-CoA carboxylase 0.0354 0.3001 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0135 0.0815 0.046
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.1984 0.1674
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.1984 0.1674
Leishmania major acetyl-CoA carboxylase, putative 0.0354 0.3001 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.1984 0.1984
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0135 0.0815 0.5
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0135 0.0815 0.5
Mycobacterium ulcerans pyruvate carboxylase 0.0135 0.0815 0.5
Trypanosoma cruzi acetyl-CoA carboxylase 0.0219 0.1656 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.006 0.0072 0.5
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.006 0.0072 0.5
Schistosoma mansoni acetyl-CoA carboxylase 0.0354 0.3001 0.2731
Loa Loa (eye worm) hypothetical protein 0.1057 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0372 0.0372
Brugia malayi hypothetical protein 0.0252 0.1984 0.1984
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0354 0.3001 0.2731
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.1057 1 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0354 0.3001 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0135 0.0815 0.1741
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0354 0.3001 0.2731
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0342 0.2878 0.2878
Chlamydia trachomatis biotin carboxylase 0.0123 0.0691 0.5
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0135 0.0815 0.5
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.1057 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.021 0.1563 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0135 0.0815 0.1741
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.1057 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0257 0.2025 0.5
Brugia malayi Carboxyl transferase domain containing protein 0.0342 0.2878 0.2878
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0354 0.3001 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0135 0.0815 0.046
Schistosoma mansoni pyruvate carboxylase 0.0135 0.0815 0.046
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0372 0.0372
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0135 0.0815 0.046
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0135 0.0815 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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