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