Detailed information for compound 973927

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.464 | Formula: C22H24N6O3
  • H donors: 4 H acceptors: 4 LogP: 2.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cnc(nc1NCc1ccccc1O)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C22H24N6O3/c23-20(30)18-14-25-22(27-21(18)24-13-15-3-1-2-4-19(15)29)26-16-5-7-17(8-6-16)28-9-11-31-12-10-28/h1-8,14,29H,9-13H2,(H2,23,30)(H2,24,25,26,27)
  • InChiKey: LRSSEQQTEWJHRJ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens signal transducer and activator of transcription 6, interleukin-4 induced Starlite/ChEMBL References

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
Echinococcus granulosus carbonic anhydrase II 0.2153 0.107 1
Plasmodium falciparum carbonic anhydrase 0.0799 0.021 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.5616 0.3269 0.3023
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.3394 0.1858 0.1172
Leishmania major carbonic anhydrase family protein, putative 0.4209 0.2375 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 1.3995 0.8589 1
Loa Loa (eye worm) carbonic anhydrase 3 0.2153 0.107 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2153 0.107 0.3971
Entamoeba histolytica carbonic anhydrase, putative 0.4209 0.2375 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2153 0.107 1
Mycobacterium ulcerans carbonic anhydrase 0.4209 0.2375 0.2375
Onchocerca volvulus Putative sulfate transporter 0.2938 0.1568 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2153 0.107 1
Schistosoma mansoni carbonic anhydrase 0.4209 0.2375 1
Trichomonas vaginalis conserved hypothetical protein 1.6217 1 0.5
Trichomonas vaginalis conserved hypothetical protein 1.6217 1 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2153 0.107 1
Toxoplasma gondii hypothetical protein 0.0799 0.021 1
Echinococcus multilocularis carbonic anhydrase II 0.2153 0.107 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.4209 0.2375 1
Onchocerca volvulus 0.2938 0.1568 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2153 0.107 0.3971
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2153 0.107 1
Chlamydia trachomatis sulfate transporter 0.0468 0 0.5
Plasmodium vivax sulfate transporter, putative 0.0468 0 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.2153 0.107 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2153 0.107 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22 nM Inhibition of STAT6 activation in FW4 reporter cells ChEMBL. 18534856

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

1 literature reference was collected for this gene.

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