Detailed information for compound 2069255

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.701 | Formula: C12H12ClFN4O
  • H donors: 1 H acceptors: 3 LogP: 1.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cnnc1CNC(=O)c1ccc(cc1F)Cl
  • InChi: 1S/C12H12ClFN4O/c1-2-18-7-16-17-11(18)6-15-12(19)9-4-3-8(13)5-10(9)14/h3-5,7H,2,6H2,1H3,(H,15,19)
  • InChiKey: KJRKDKMQIQHQIN-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
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0928 0.7318 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0574 0.0574
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0067 0.004
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Trypanosoma brucei carbonic anhydrase-like protein 0.1262 1 1
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0045 0.0222 1
Leishmania major carbonic anhydrase family protein, putative 0.0928 0.7318 0.7299
Mycobacterium ulcerans carbonic anhydrase 0.0928 0.7318 0.9547
Toxoplasma gondii hypothetical protein 0.0491 0.3804 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0067 0.0053
Loa Loa (eye worm) hypothetical protein 0.0491 0.3804 0.3804
Loa Loa (eye worm) carbonic anhydrase 3 0.1262 1 1
Mycobacterium ulcerans carbonic anhydrase 0.0971 0.7663 1
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Plasmodium vivax sulfate transporter, putative 0.0021 0.0027 0.5
Plasmodium falciparum carbonic anhydrase 0.0491 0.3804 1
Loa Loa (eye worm) hypothetical protein 0.1249 0.9897 0.9897
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0067 0.004
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Leishmania major carbonic anhydrase-like protein 0.1262 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1262 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1262 1 1
Echinococcus multilocularis carbonic anhydrase II 0.1262 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0971 0.7663 1
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0067 0.004
Echinococcus granulosus carbonic anhydrase II 0.1262 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0971 0.7663 1
Schistosoma mansoni carbonic anhydrase 0.0928 0.7318 0.5671
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0045 0.0222 0.0322
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0151 0.1075 0.2097
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1262 1 1
Entamoeba histolytica ankyrin, putative 0.0045 0.0223 0.0215
Mycobacterium ulcerans transferase 0.0043 0.0208 0.0237
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0499 0.3867 0.7912
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1262 1 1
Echinococcus granulosus dynactin 5 p25 0.0045 0.0222 0.0222
Onchocerca volvulus 0.0131 0.0911 1
Entamoeba histolytica carbonic anhydrase, putative 0.0928 0.7318 1
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Onchocerca volvulus Putative sulfate transporter 0.0131 0.0911 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1262 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0574 0.0574
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1262 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0491 0.3804 0.3804
Mycobacterium leprae Probable transmembrane transport protein 0.0151 0.1075 0.1219
Chlamydia trachomatis sulfate transporter 0.0021 0.0027 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0581 0.4525 0.928
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0624 0.487 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.3804 0.3804
Entamoeba histolytica acetyltransferase, putative 0.0045 0.0222 0.0213
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0045 0.0222 1

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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