Detailed information for compound 150930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 305.334 | Formula: C17H15N5O
  • H donors: 2 H acceptors: 4 LogP: 1.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)Nc1nccc(n1)c1cccnc1
  • InChi: 1S/C17H15N5O/c1-12(23)20-14-4-6-15(7-5-14)21-17-19-10-8-16(22-17)13-3-2-9-18-11-13/h2-11H,1H3,(H,20,23)(H,19,21,22)
  • InChiKey: SCGDBPWVLSVHLS-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
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Trichomonas vaginalis conserved hypothetical protein 0.1338 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.0081 0.0308 0.0744
Brugia malayi ecdysteroid receptor 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0081 0.0308 0.4223
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0081 0.0308 0.4223
Schistosoma mansoni thyroid hormone receptor 0.0081 0.0308 0.0744
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0134 0.0716 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0081 0.0308 0.4295
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0134 0.0716 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Brugia malayi nuclear hormone receptor 0.0081 0.0308 0.4223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.0308 0.4223
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0081 0.0308 0.4295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0081 0.0308 0.4295
Onchocerca volvulus 0.0224 0.1413 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0134 0.0716 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0081 0.0308 0.4295
Brugia malayi photoreceptor-specific nuclear receptor 0.0081 0.0308 0.4223
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0716 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.0308 0.4223
Brugia malayi nuclear receptor NHR-88 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0195
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0081 0.0308 0.4295
Brugia malayi steroid hormone receptor 0.0081 0.0308 0.4223
Echinococcus granulosus FTZ F1 alpha 0.0081 0.0308 0.4223
Schistosoma mansoni carbonic anhydrase 0.0554 0.3959 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0081 0.0308 0.4223
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.0014 0.0072
Loa Loa (eye worm) carbonic anhydrase 3 0.0134 0.0716 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0081 0.0308 0.0744
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0081 0.0308 0.4223
Schistosoma mansoni coup transcription factor 0.0081 0.0308 0.0744
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.0308 0.4223
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0195
Trypanosoma brucei carbonic anhydrase-like protein 0.0134 0.0716 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0195
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0081 0.0308 0.0744
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0195
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0081 0.0308 0.0744
Brugia malayi Nuclear hormone receptor-like 1 0.0081 0.0308 0.4223
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0081 0.0308 0.4223
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0081 0.0308 0.0744
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0081 0.0308 0.4223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0081 0.0308 0.4223
Schistosoma mansoni steroid hormone receptor ad4bp 0.0081 0.0308 0.0744
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Echinococcus multilocularis FTZ F1 alpha 0.0081 0.0308 0.4223
Echinococcus granulosus ecdysone induced protein 78C 0.0081 0.0308 0.4223
Schistosoma mansoni thyroid hormone receptor 0.0081 0.0308 0.0744
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1068 0.7915 1
Schistosoma mansoni retinoic acid receptor RXR 0.0081 0.0308 0.0744
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0554 0.3959 1
Brugia malayi hypothetical protein 0.0043 0.0014 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0081 0.0308 0.4295
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0014 0.0072
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0134 0.0716 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0284 0.1874 0.031
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0195
Loa Loa (eye worm) steroid hormone receptor 0.0081 0.0308 0.4295
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0134 0.0716 0.178
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Trichomonas vaginalis conserved hypothetical protein 0.1338 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.0308 0.4223
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0529 0.3766 0.3344
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0081 0.0308 0.4223
Leishmania major carbonic anhydrase family protein, putative 0.0554 0.3959 1
Brugia malayi Steroid receptor seven-up type 2 0.0081 0.0308 0.4223
Schistosoma mansoni RAR-like nuclear receptor 0.0081 0.0308 0.0744
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0081 0.0308 0.4223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0081 0.0308 0.4223
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0081 0.0308 0.4223
Brugia malayi nuclear receptor RXR 0.0043 0.0014 0.0072
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0134 0.0716 0.178
Echinococcus multilocularis thyroid hormone receptor alpha 0.0081 0.0308 0.4223
Entamoeba histolytica carbonic anhydrase, putative 0.0554 0.3959 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Brugia malayi hypothetical protein 0.0043 0.0014 0.0072
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.0014 0.0195
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0081 0.0308 0.4223
Loa Loa (eye worm) hypothetical protein 0.0081 0.0308 0.4295
Onchocerca volvulus Putative sulfate transporter 0.0224 0.1413 1
Echinococcus granulosus carbonic anhydrase II 0.0134 0.0716 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0081 0.0308 0.0744
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.0014 0.0072
Echinococcus multilocularis carbonic anhydrase II 0.0134 0.0716 1
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0014 0.0072
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0081 0.0308 0.0744
Echinococcus multilocularis ecdysone induced protein 78C 0.0081 0.0308 0.4223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0081 0.0308 0.4295
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0081 0.0308 0.4223

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.6 uM In vitro inhibition of histamine release from human basophils ChEMBL. 8410986
IC50 (functional) = 3.6 uM In vitro inhibition of histamine release from human basophils ChEMBL. 8410986

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 8410986

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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