Detailed information for compound 1770469

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.759 | Formula: C18H12ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1c1nc2c(o1)cccn2)N(C(=O)c1cocc1)C
  • InChi: 1S/C18H12ClN3O3/c1-22(18(23)11-6-8-24-10-11)12-4-5-14(19)13(9-12)17-21-16-15(25-17)3-2-7-20-16/h2-10H,1H3
  • InChiKey: JXSRWOIUHHQLTJ-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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0199 0.2792
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0199 0.2792
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0199 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0198 0.2783
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0198 0.2783
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0199 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1065 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0198 0.1861
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0199 0.2792
Loa Loa (eye worm) hypothetical protein 0.0009 0.00000000027722 0.00000000027722
Echinococcus granulosus GPCR family 2 0.0018 0.0198 0.2783
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.045 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0199 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0198 0.1861
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0199 0.2792
Entamoeba histolytica hypothetical protein 0.004 0.0712 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0199 0.2792
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0199 0.2792
Loa Loa (eye worm) hypothetical protein 0.0056 0.1065 0.1065
Brugia malayi isocitrate dehydrogenase 0.0018 0.0199 0.1867
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0198 0.2783
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0198 0.2783
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0199 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0664 0.6233
Schistosoma mansoni hypothetical protein 0.0018 0.0198 0.2783
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0712 1
Brugia malayi hypothetical protein 0.004 0.0712 0.6686
Entamoeba histolytica hypothetical protein 0.004 0.0712 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1065 0.1065
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1065 1
Entamoeba histolytica hypothetical protein 0.004 0.0712 1
Onchocerca volvulus 0.0163 0.3504 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0199 1
Schistosoma mansoni hypothetical protein 0.0018 0.0198 0.2783
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0712 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0199 0.1867
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0199 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0712 1
Echinococcus multilocularis GPCR, family 2 0.0018 0.0198 0.2783
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.004 0.0712 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0199 0.2792
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0199 1
Schistosoma mansoni hypothetical protein 0.0038 0.0664 0.9322
Loa Loa (eye worm) hypothetical protein 0.0038 0.0664 0.0664
Entamoeba histolytica hypothetical protein 0.004 0.0712 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0198 0.2783
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0199 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0198 0.2783
Loa Loa (eye worm) hypothetical protein 0.0018 0.0198 0.0198
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0199 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0199 0.0199

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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