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
Trypanosoma brucei carbonic anhydrase-like protein 0.1262 1 1
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Loa Loa (eye worm) hypothetical protein 0.0491 0.3804 0.3804
Trichomonas vaginalis conserved hypothetical protein 0.0971 0.7663 1
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0499 0.3867 0.7912
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0581 0.4525 0.928
Echinococcus granulosus dynactin 5 p25 0.0045 0.0222 0.0222
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1262 1 1
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1262 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0971 0.7663 1
Mycobacterium ulcerans carbonic anhydrase 0.0928 0.7318 0.9547
Toxoplasma gondii hypothetical protein 0.0491 0.3804 1
Entamoeba histolytica acetyltransferase, putative 0.0045 0.0222 0.0213
Loa Loa (eye worm) carbonic anhydrase 3 0.1262 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0067 0.004
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0045 0.0222 1
Schistosoma mansoni carbonic anhydrase 0.0928 0.7318 0.5671
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0574 0.0574
Echinococcus granulosus carbonic anhydrase 0.0491 0.3804 0.3804
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0151 0.1075 0.2097
Mycobacterium ulcerans hypothetical protein 0.0026 0.0067 0.0053
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0045 0.0222 0.0322
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1262 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0624 0.487 1
Entamoeba histolytica carbonic anhydrase, putative 0.0928 0.7318 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0574 0.0574
Mycobacterium leprae Probable transmembrane transport protein 0.0151 0.1075 0.1219
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0067 0.004
Mycobacterium ulcerans transferase 0.0043 0.0208 0.0237
Leishmania major carbonic anhydrase-like protein 0.1262 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0928 0.7318 1
Plasmodium falciparum carbonic anhydrase 0.0491 0.3804 1
Echinococcus multilocularis carbonic anhydrase II 0.1262 1 1
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
Chlamydia trachomatis sulfate transporter 0.0021 0.0027 0.5
Entamoeba histolytica ankyrin, putative 0.0045 0.0223 0.0215
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Echinococcus granulosus carbonic anhydrase II 0.1262 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0067 0.004
Mycobacterium ulcerans carbonic anhydrase 0.0971 0.7663 1
Echinococcus multilocularis carbonic anhydrase 0.0491 0.3804 0.3804
Onchocerca volvulus 0.0131 0.0911 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.3804 0.3804
Leishmania major carbonic anhydrase family protein, putative 0.0928 0.7318 0.7299
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1262 1 1
Plasmodium vivax sulfate transporter, putative 0.0021 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.1249 0.9897 0.9897
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1262 1 1
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0045 0.0222 1
Onchocerca volvulus Putative sulfate transporter 0.0131 0.0911 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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