Detailed information for compound 215384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.433 | Formula: C19H24N6O
  • H donors: 2 H acceptors: 2 LogP: 2.36 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC/N=C(/NC#N)\NCCCCn1nc(ccc1=O)c1ccccc1
  • InChi: 1S/C19H24N6O/c1-2-12-21-19(23-15-20)22-13-6-7-14-25-18(26)11-10-17(24-25)16-8-4-3-5-9-16/h3-5,8-11H,2,6-7,12-14H2,1H3,(H2,21,22,23)
  • InChiKey: XOTBNESRDFWUNI-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis integrin alpha 3 0.0029 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.003 0.0612 0.0908
Schistosoma mansoni integrin alpha-ps 0.0032 0.0704 0.0704
Brugia malayi Calcitonin receptor-like protein seb-1 0.0118 0.5461 0.81
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0612 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.1025 0.152
Echinococcus multilocularis integrin alpha ps 0.0061 0.2298 0.2298
Schistosoma mansoni hypothetical protein 0.0201 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0566 0.084
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0145 0.6945 0.6945
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0612 1
Brugia malayi hypothetical protein 0.0043 0.1313 0.1948
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.1025 0.152
Schistosoma mansoni hypothetical protein 0.0029 0.0566 0.0566
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0612 1
Echinococcus multilocularis GPCR, family 2 0.0037 0.1025 0.1025
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1313 0.1313
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0118 0.5461 0.81
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.1025 0.1025
Schistosoma mansoni hypothetical protein 0.0037 0.1025 0.1025
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0102 0.4584 0.68
Loa Loa (eye worm) hypothetical protein 0.0032 0.0704 0.1044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.1025 0.1025
Brugia malayi MH2 domain containing protein 0.0142 0.6742 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0704 0.1044
Echinococcus granulosus integrin alpha 3 0.0029 0.0566 0.0566
Schistosoma mansoni hypothetical protein 0.0201 1 1
Echinococcus granulosus integrin alpha ps 0.0061 0.2298 0.2298
Brugia malayi Integrin alpha pat-2 precursor 0.0061 0.2298 0.3409
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.3408 0.5054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0118 0.5461 0.81
Loa Loa (eye worm) hypothetical protein 0.0102 0.4584 0.68
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0612 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0142 0.6742 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.1025 0.1025
Brugia malayi hypothetical protein 0.0019 0.0031 0.0046
Echinococcus multilocularis integrin alpha ps 0.0061 0.2298 0.2298
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1313 0.1313
Schistosoma mansoni integrin alpha 0.0061 0.2298 0.2298
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0612 1
Schistosoma mansoni integrin alpha-ps 0.0061 0.2298 0.2298
Brugia malayi hypothetical protein 0.003 0.0612 0.0908
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1313 0.1313
Loa Loa (eye worm) integrin alpha pat-2 0.0134 0.6316 0.9369
Loa Loa (eye worm) hypothetical protein 0.0081 0.3408 0.5054
Entamoeba histolytica hypothetical protein 0.0043 0.1313 0.5
Echinococcus granulosus integrin alpha ps 0.0029 0.0566 0.0566
Echinococcus multilocularis integrin alpha ps 0.0029 0.0566 0.0566
Entamoeba histolytica hypothetical protein 0.0043 0.1313 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0142 0.6742 1
Schistosoma mansoni hypothetical protein 0.0037 0.1025 0.1025
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0612 1
Echinococcus granulosus GPCR family 2 0.0037 0.1025 0.1025
Schistosoma mansoni hypothetical protein 0.0037 0.1025 0.1025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0151 0.7257 0.7257
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0612 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1025 0.152
Schistosoma mansoni hypothetical protein 0.0043 0.1313 0.1313
Entamoeba histolytica hypothetical protein 0.0043 0.1313 0.5
Echinococcus multilocularis geminin 0.0201 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.5461 0.81
Schistosoma mansoni retinoic acid receptor RXR 0.0151 0.7257 0.7257
Brugia malayi Latrophilin receptor protein 2 0.0037 0.1025 0.152
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.1313 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.1025 0.1025
Leishmania major hypothetical protein, conserved 0.003 0.0612 1
Schistosoma mansoni hypothetical protein 0.0081 0.3408 0.3408
Schistosoma mansoni hypothetical protein 0.0037 0.1025 0.1025

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 100 mg kg-1 Dose required to inhibit gastric secretory activity in pylorus lygated rats ChEMBL. 6402597
Inhibition (functional) = 26.3 % Gastric antisecretory activity at the dose of 100 mg/kg in pylorus lygated rats ChEMBL. 6402597

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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