Detailed information for compound 838865

Basic information

Technical information
  • TDR Targets ID: 838865
  • Name: [[amino-(3-nitrophenyl)methylidene]amino] 2-c hloro-4-nitrobenzoate
  • MW: 364.697 | Formula: C14H9ClN4O6
  • H donors: 1 H acceptors: 5 LogP: 3.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1Cl)[N+](=O)[O-])O/N=C(/c1cccc(c1)[N+](=O)[O-])\N
  • InChi: 1S/C14H9ClN4O6/c15-12-7-10(19(23)24)4-5-11(12)14(20)25-17-13(16)8-2-1-3-9(6-8)18(21)22/h1-7H,(H2,16,17)
  • InChiKey: VQMFAYVUWVLXGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(3-nitrophenyl)methylene]amino] 2-chloro-4-nitro-benzoate
  • 2-chloro-4-nitrobenzoic acid [[amino-(3-nitrophenyl)methylene]amino] ester
  • 2-chloro-4-nitro-benzoic acid [[amino-(3-nitrophenyl)methylene]amino] ester
  • [[amino-(3-nitrophenyl)methylidene]amino] 2-chloro-4-nitro-benzoate
  • BIM-0018035.P001
  • CBMicro_018046
  • STK140345
  • AG-670/36148004

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 transmembrane cation transporter 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0052 0 0.5
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0052 0 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0052 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0052 0 0.5
Leishmania major ion transport protein-like protein 0.0052 0 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.0473 1
Onchocerca volvulus 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0052 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0052 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0052 0 0.5
Leishmania major hypothetical protein, conserved 0.0052 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0483 0.2814 0.2814
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.0391 0.8269
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.0473 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0052 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1581 1 1
Onchocerca volvulus 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0052 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0052 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0052 0 0.5
Plasmodium vivax potassium channel, putative 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0052 0 0.5
Onchocerca volvulus 0.0052 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0052 0 0.5
Toxoplasma gondii ion channel protein 0.0052 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.102 0.6331 0.6331
Mycobacterium tuberculosis Probable reductase 0.0112 0.0391 0.8269
Onchocerca volvulus 0.0052 0 0.5
Plasmodium vivax potassium channel, putative 0.0052 0 0.5
Mycobacterium ulcerans ion transport protein 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0052 0 0.5
Onchocerca volvulus 0.0052 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0509 0.2985 0.2985
Trypanosoma cruzi ion transport protein, putative 0.0052 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0052 0 0.5
Giardia lamblia Hypothetical protein 0.0052 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.0391 0.8269
Leishmania major calcium/potassium channel (CAKC), putative 0.0052 0 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.0052 0 0.5
Brugia malayi hypothetical protein 0.0052 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.0391 0.8269
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.0391 0.8269
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.0391 0.8269
Plasmodium falciparum potassium channel 0.0052 0 0.5
Leishmania major potassium channel subunit-like protein 0.0052 0 0.5
Onchocerca volvulus 0.0052 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0052 0 0.5
Brugia malayi hypothetical protein 0.0052 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0538 0.3175 0.3175
Toxoplasma gondii ion channel protein 0.0052 0 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0842 0.5167 0.5167
Schistosoma mansoni calcium-activated potassium channel 0.1581 1 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0052 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0052 0 0.5
Onchocerca volvulus 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0052 0 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.1581 1 1
Schistosoma mansoni hypothetical protein 0.1581 1 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0052 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0052 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.0473 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.0473 1
Onchocerca volvulus 0.0052 0 0.5
Leishmania major hypothetical protein, conserved 0.0052 0 0.5
Plasmodium falciparum potassium channel 0.0052 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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