Detailed information for compound 1870939

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.439 | Formula: C18H27N5O3
  • H donors: 1 H acceptors: 4 LogP: 1.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)C1(C)CCCN(C1)Cc1noc(n1)c1c(C)noc1C
  • InChi: 1S/C18H27N5O3/c1-5-8-19-17(24)18(4)7-6-9-23(11-18)10-14-20-16(26-22-14)15-12(2)21-25-13(15)3/h5-11H2,1-4H3,(H,19,24)
  • InChiKey: GRQLWAWXKWPDQE-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
Loa Loa (eye worm) MH2 domain-containing protein 0.013 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.3571 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0221 0.0619
Schistosoma mansoni smad1 5 8 and 0.0009 0.0221 0.0619
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0051 0.3571 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0051 0.3571 0.5
Brugia malayi Isocitrate dehydrogenase 0.0051 0.3571 0.3571
Brugia malayi Smad1 0.0009 0.0221 0.0221
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.3571 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0221 0.0619
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.3571 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0221 0.0619
Echinococcus multilocularis Smad4 0.0009 0.0221 0.0619
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.3571 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0221 0.0619
Brugia malayi MH2 domain containing protein 0.0009 0.0221 0.0221
Schistosoma mansoni smad1 5 8 and 0.0009 0.0221 0.0619
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.3571 0.5
Loa Loa (eye worm) Smad1 0.0009 0.0221 0.0221
Echinococcus multilocularis smad 0.0009 0.0221 0.0619
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0221 0.0221
Brugia malayi isocitrate dehydrogenase 0.0051 0.3571 0.3571
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.3571 1
Loa Loa (eye worm) transcription factor SMAD2 0.013 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.3571 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0006 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0051 0.3571 0.5
Schistosoma mansoni smad 0.0009 0.0221 0.0619
Echinococcus granulosus smad 0.0009 0.0221 0.0619
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0006 0 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.3571 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.3571 0.3571
Brugia malayi MH1 domain containing protein 0.0009 0.0221 0.0221
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0006 0 0.5
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0006 0 0.5
Schistosoma mansoni Smad4 0.0009 0.0221 0.0619
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0221 0.0221
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.3571 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0221 0.0619
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0051 0.3571 0.5
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0006 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0051 0.3571 1
Brugia malayi MH1 domain containing protein 0.0009 0.0221 0.0221
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.3571 1
Brugia malayi MH2 domain containing protein 0.0009 0.0221 0.0221
Echinococcus granulosus Smad4 0.0009 0.0221 0.0619
Toxoplasma gondii isocitrate dehydrogenase 0.0051 0.3571 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0051 0.3571 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0221 0.0619

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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