Detailed information for compound 1194834

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.235 | Formula: C18H14Cl2N4O2
  • H donors: 2 H acceptors: 2 LogP: 4.14 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)cc1n2c(=O)c2n(c1=O)c1c(c2)cc(cc1)N.Cl.Cl
  • InChi: 1S/C18H12N4O2.2ClH/c19-11-1-3-13-9(5-11)7-15-18(24)22-14-4-2-12(20)6-10(14)8-16(22)17(23)21(13)15;;/h1-8H,19-20H2;2*1H
  • InChiKey: MJTJVFZNZKJDJB-UHFFFAOYSA-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
Schistosoma mansoni carbonic anhydrase 0.0527 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0288 0.4589 0.7129
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0527 1 0.5
Echinococcus granulosus expressed protein 0.0369 0.6437 1
Trichomonas vaginalis conserved hypothetical protein 0.0228 0.3249 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0165 0.1816 0.2821
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0173 0.201 1
Schistosoma mansoni glutamate receptor kainate 0.0256 0.3885 0.2529
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0288 0.4589 0.7129
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0288 0.4589 0.7129
Schistosoma mansoni glutamate receptor NMDA 0.0196 0.252 0.086
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0288 0.4589 0.7129
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0153 0.1547 0.2404
Onchocerca volvulus Dual oxidase homolog 0.0227 0.3219 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0173 0.201 0.0237
Echinococcus multilocularis NMDA receptor 0.0153 0.1547 0.2404
Echinococcus multilocularis expressed protein 0.0369 0.6437 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0153 0.1547 0.2404
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0173 0.201 0.0237
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0196 0.252 0.3914
Trypanosoma brucei carbonic anhydrase-like protein 0.0173 0.201 1
Mycobacterium ulcerans carbonic anhydrase 0.0527 1 1
Loa Loa (eye worm) glutamate receptor 1 0.0165 0.1816 0.4152
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0165 0.1816 0.2821
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0153 0.1547 0.2404
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0173 0.201 0.1381
Echinococcus granulosus glutamate receptor 2 0.0196 0.252 0.3914
Echinococcus multilocularis glutamate receptor 2 0.0196 0.252 0.3914
Leishmania major carbonic anhydrase family protein, putative 0.0527 1 1
Echinococcus granulosus carbonic anhydrase II 0.0173 0.201 0.3122
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0173 0.201 1
Echinococcus multilocularis carbonic anhydrase II 0.0173 0.201 0.3122
Echinococcus multilocularis glutamate receptor 2 0.0135 0.1146 0.1781
Brugia malayi Blistered cuticle protein 3 0.0227 0.3219 1
Loa Loa (eye worm) glutamate receptor 2 0.0165 0.1816 0.4152
Loa Loa (eye worm) blistered cuticle protein 3 0.0227 0.3219 1
Echinococcus multilocularis glutamate receptor 2 0.0165 0.1816 0.2821
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0173 0.201 0.1381
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0288 0.4589 0.7129
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0176 0.2069 0.3215
Schistosoma mansoni glutamate receptor kainate 0.0256 0.3885 0.2529
Leishmania major carbonic anhydrase-like protein 0.0173 0.201 0.1585
Trichomonas vaginalis conserved hypothetical protein 0.0228 0.3249 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0299 0.4856 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0196 0.252 0.3914
Loa Loa (eye worm) carbonic anhydrase 3 0.0173 0.201 0.496
Echinococcus granulosus glutamate receptor 2 0.0135 0.1146 0.1781
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0173 0.201 0.496
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0288 0.4589 0.7129

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 30000 nM The compound was tested for cytotoxic activity using standard L1210 cell based cytotoxicity assay ChEMBL. 10843206

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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