Detailed information for compound 1187351

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 239.658 | Formula: C10H10ClN3O2
  • H donors: 3 H acceptors: 2 LogP: 1.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc([nH]c(=O)[nH]1)NC1CC=CC=C1Cl
  • InChi: 1S/C10H10ClN3O2/c11-6-3-1-2-4-7(6)12-8-5-9(15)14-10(16)13-8/h1-3,5,7H,4H2,(H3,12,13,14,15,16)
  • InChiKey: NDECNOBEVZZQOH-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
Plasmodium falciparum JmjC domain-containing protein, putative 0.0031 0.1575 0.4936
Schistosoma mansoni phd/f-box containing protein 0.0031 0.1575 0.1575
Loa Loa (eye worm) ThiF family protein 0.0032 0.1589 0.1589
Toxoplasma gondii hypothetical protein 0.0048 0.319 1
Loa Loa (eye worm) inositol-1 0.0037 0.2117 0.2117
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0032 0.1589 0.751
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.1575 0.1575
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0048 0.319 0.319
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.1575 0.7439
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0032 0.1589 0.751
Echinococcus granulosus JmjC domain containing protein 4 0.0031 0.1575 0.1575
Brugia malayi ThiF family protein 0.0032 0.1589 0.1589
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0031 0.1575 0.1575
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0044 0.276 0.276
Schistosoma mansoni inositol monophosphatase 0.0037 0.2117 0.2117
Schistosoma mansoni inositol monophosphatase 0.0037 0.2117 0.2117
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0032 0.1589 0.1589
Loa Loa (eye worm) hypothetical protein 0.0031 0.1575 0.1575
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0048 0.319 1
Plasmodium vivax ubiquitin activating enzyme, putative 0.0048 0.319 1
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0048 0.319 0.319
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0031 0.1575 0.4936
Brugia malayi jmjC domain containing protein 0.0031 0.1575 0.1575
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0032 0.1589 0.1589
Loa Loa (eye worm) hypothetical protein 0.0031 0.1575 0.1575
Brugia malayi jmjC domain containing protein 0.0031 0.1575 0.1575
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0031 0.1575 0.7439
Echinococcus multilocularis lysine specific demethylase 6a 0.0031 0.1575 0.1575
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.2117 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.2117 0.5
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0048 0.319 0.319
Echinococcus multilocularis jumonji domain containing 1A 0.0031 0.1575 0.1575
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.2117 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1739 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2117 0.5
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0027 0.116 0.5479
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.2117 0.2117
Schistosoma mansoni protein phosphatase 2C 0.0031 0.1575 0.1575
Echinococcus multilocularis phd:f box containing protein 0.0031 0.1575 0.1575
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.1575 0.4936
Leishmania major ubiquitin-activating enzyme-like protein 0.0032 0.1589 0.751
Brugia malayi ThiF family protein 0.0048 0.319 0.319
Toxoplasma gondii ThiF family protein 0.0032 0.1589 0.4983
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.1575 0.1575
Brugia malayi jmjC domain containing protein 0.0031 0.1575 0.1575
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2117 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.2117 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1739 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1575 0.1575
Echinococcus granulosus jumonji domain containing 1A 0.0031 0.1575 0.1575
Brugia malayi Inositol-1 0.0037 0.2117 0.2117
Echinococcus multilocularis JmjC domain containing protein 4 0.0031 0.1575 0.1575
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2117 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0031 0.1575 0.1575
Leishmania major hypothetical protein, conserved 0.0031 0.1575 0.7439
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2117 1
Echinococcus granulosus phd:f box containing protein 0.0031 0.1575 0.1575
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.2117 0.6636
Echinococcus granulosus lysine specific demethylase 6a 0.0031 0.1575 0.1575
Plasmodium vivax JmjC domain containing protein 0.0031 0.1575 0.4936
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0031 0.1575 0.1575
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.1575 0.1575
Loa Loa (eye worm) hypothetical protein 0.0048 0.319 0.319
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.2117 0.2117
Schistosoma mansoni jumonji domain containing protein 0.0031 0.1575 0.1575
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0032 0.1589 0.4983
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0032 0.1589 0.1589
Brugia malayi jmjC domain containing protein 0.0031 0.1575 0.1575
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.2117 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.2117 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.1575 0.7439
Schistosoma mansoni phosphatidylserine receptor 0.0031 0.1575 0.1575
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0032 0.1589 0.4983

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to human GST-SOD1 expressed in Escherichia coli Rosetta at 100 uM in presence of human plasma by reverse phase HPLC analysis ChEMBL. 20232802

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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