Detailed information for compound 1837751

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.452 | Formula: C19H28N4
  • H donors: 0 H acceptors: 2 LogP: 4.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1nnn(c1)c1ccc(cc1)CCN1CCCCC1
  • InChi: 1S/C19H28N4/c1-2-3-7-18-16-23(21-20-18)19-10-8-17(9-11-19)12-15-22-13-5-4-6-14-22/h8-11,16H,2-7,12-15H2,1H3
  • InChiKey: WXUACJFPSCRVFO-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
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.2267 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0021 0.115 0.4594
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0021 0.115 0.4594
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.115 0.4594
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0177 0.0708
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0021 0.115 0.115
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0177 0.0708
Echinococcus granulosus pyruvate kinase 0.0017 0.0808 0.3228
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2267 0.2267
Schistosoma mansoni thyroid hormone receptor 0.001 0.0177 0.0708
Echinococcus multilocularis sterol O acyltransferase 1 0.0021 0.115 0.4594
Entamoeba histolytica hypothetical protein 0.0036 0.2503 1
Loa Loa (eye worm) MBOAT family protein 0.0021 0.115 0.115
Brugia malayi MBOAT family protein 0.0021 0.115 0.115
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0177 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0177 0.0177
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0021 0.115 0.4594
Chlamydia trachomatis pyruvate kinase 0.0034 0.2267 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.2503 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.2267 0.9059
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0021 0.115 0.4594
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0021 0.115 0.4594
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0021 0.115 0.4594
Entamoeba histolytica hypothetical protein 0.0036 0.2503 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.2267 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0177 0.0177
Brugia malayi Hhat protein 0.0021 0.115 0.115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0177 0.0177
Plasmodium vivax pyruvate kinase, putative 0.0034 0.2267 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0177 0.0708
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0176 0.0176
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0177 0.0177
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0021 0.115 0.115
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0177 0.0177
Treponema pallidum alginate O-acetylation protein (algI) 0.0021 0.115 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0177 0.0177
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.2267 0.2267
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2267 0.2267
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0177 0.0708
Brugia malayi MBOAT family protein 0.0021 0.115 0.115
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.2503 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0177 0.0708
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.2267 1
Echinococcus granulosus sterol O acyltransferase 1 0.0021 0.115 0.4594
Loa Loa (eye worm) hypothetical protein 0.0034 0.2267 0.2267
Loa Loa (eye worm) hhat protein 0.0021 0.115 0.115
Entamoeba histolytica hypothetical protein 0.0036 0.2503 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0021 0.115 0.2343
Echinococcus multilocularis pyruvate kinase 0.0017 0.0808 0.3228
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.115 0.4594
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.115 0.4594
Loa Loa (eye worm) hypothetical protein 0.0021 0.115 0.115
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.136 0.136
Brugia malayi MBOAT family protein 0.0021 0.115 0.115
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.136 0.1554
Loa Loa (eye worm) MBOAT family protein 0.0021 0.115 0.115
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0177 0.0708
Brugia malayi diacylglycerol acyltransferase 0.0021 0.115 0.115
Echinococcus multilocularis pyruvate kinase 0.0017 0.0808 0.3228
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0021 0.115 0.4594
Onchocerca volvulus 0.0021 0.115 0.4653
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0177 0.0708
Plasmodium falciparum pyruvate kinase 0.0034 0.2267 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0177 0.0177
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0021 0.115 0.2343
Brugia malayi MBOAT family protein 0.0021 0.115 0.115
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.2267 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0177 0.0177
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.0021 0.115 0.115
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0021 0.115 0.2343
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0177 0.0708
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0177 0.0708
Schistosoma mansoni pyruvate kinase 0.0017 0.0808 0.3228
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0177 0.0708
Schistosoma mansoni thyroid hormone receptor 0.001 0.0177 0.0708
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0021 0.115 0.4594
Echinococcus granulosus pyruvate kinase 0.0017 0.0808 0.3228
Echinococcus granulosus FTZ F1 alpha 0.001 0.0177 0.0708
Schistosoma mansoni nuclear hormone receptor 0.001 0.0177 0.0708
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2267 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0808 0.3228
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.115 0.4594
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0177 0.0708
Schistosoma mansoni pyruvate kinase 0.0034 0.2267 0.9059
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.2503 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0021 0.115 0.2343
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0021 0.115 0.4594
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0177 0.0708
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.115 0.4594
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0021 0.115 0.4594
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2267 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0177 0.0177
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.2267 0.2267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0177 0.0177
Schistosoma mansoni sterol O-acyltransferase 1 0.0021 0.115 0.4594
Leishmania major pyruvate kinase 0.0034 0.2267 1
Mycobacterium ulcerans pyruvate kinase 0.0034 0.2267 0.5
Brugia malayi MBOAT family protein 0.0021 0.115 0.115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0177 0.0177
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.115 0.4594
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0021 0.115 0.115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0177 0.0177
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.115 0.4594
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0177 0.0177
Entamoeba histolytica hypothetical protein 0.0036 0.2503 1
Echinococcus multilocularis pyruvate kinase 0.0027 0.1636 0.6535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0177 0.0177
Giardia lamblia Pyruvate kinase 0.0034 0.2267 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0177 0.0708
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0021 0.115 0.4594
Loa Loa (eye worm) hypothetical protein 0.0021 0.115 0.115
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.115 0.4594
Schistosoma mansoni zinc finger protein 0.0021 0.115 0.4594
Leishmania major pyruvate kinase 0.0034 0.2267 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0177 0.0177
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0177 0.0708
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0177 0.0708
Brugia malayi nuclear hormone receptor 0.001 0.0177 0.0177
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.2267 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.2503 1
Schistosoma mansoni pyruvate kinase 0.0034 0.2267 0.9059
Brugia malayi nuclear receptor NHR-88 0.001 0.0177 0.0177
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.2267 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0024 0.136 0.136
Loa Loa (eye worm) pyruvate kinase 0.0034 0.2267 0.2267
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0177 0.0708
Toxoplasma gondii hypothetical protein 0.0021 0.115 0.2343
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0177 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0177 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0177 0.0708
Loa Loa (eye worm) MBOAT family protein 0.0021 0.115 0.115
Loa Loa (eye worm) hhat protein 0.0021 0.115 0.115
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0021 0.115 0.4594
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Brugia malayi ecdysteroid receptor 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Schistosoma mansoni coup transcription factor 0.001 0.0177 0.0708
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0177 0.0708
Echinococcus granulosus pyruvate kinase 0.0034 0.2267 0.9059
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.115 0.4594
Schistosoma mansoni hypothetical protein 0.0021 0.115 0.4594
Echinococcus granulosus pyruvate kinase 0.0017 0.0808 0.3228
Echinococcus multilocularis pyruvate kinase 0.0034 0.2267 0.9059
Brugia malayi hypothetical protein 0.0036 0.2503 0.2503
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0177 0.0177
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0177 0.0177
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.2267 1
Trypanosoma brucei pyruvate kinase 1 0.0034 0.2267 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0177 0.0708
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0021 0.115 0.4594
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0177 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0177 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0177 0.0708
Brugia malayi steroid hormone receptor 0.001 0.0177 0.0177
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.2267 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0177 0.0177
Echinococcus granulosus pyruvate kinase 0.0034 0.2267 0.9059
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.2267 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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