Detailed information for compound 113874

Basic information

Technical information
  • TDR Targets ID: 113874
  • Name: 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-c][1,3 ]benzoxazin-5-one
  • MW: 297.696 | Formula: C15H8ClN3O2
  • H donors: 0 H acceptors: 3 LogP: 3.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nn2c(n1)c1ccccc1oc2=O
  • InChi: 1S/C15H8ClN3O2/c16-10-7-5-9(6-8-10)13-17-14-11-3-1-2-4-12(11)21-15(20)19(14)18-13/h1-8H
  • InChiKey: JMYUUHSIKGODJE-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
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0009 0.0119 0.0119
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0534 0.0534
Plasmodium falciparum apyrase, putative 0.0057 0.1865 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0009 0.0119 0.0119
Trichomonas vaginalis adenosine diphosphatase, putative 0.0057 0.1865 1
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0009 0.0119 0.0464
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0057 0.1865 1
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0298 0.1028
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0009 0.0119 0.0464
Trypanosoma cruzi nucleoside phosphatase, putative 0.0087 0.2929 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Leishmania major ATP diphosphohydrolase 0.0087 0.2929 1
Schistosoma mansoni DNA helicase recq5 0.0011 0.0187 0.0187
Trichomonas vaginalis adenosine diphosphatase, putative 0.0057 0.1865 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0119 0.0464
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0187 0.0068
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0187 0.0832
Trypanosoma cruzi nucleoside phosphatase, putative 0.0057 0.1865 0.5953
Loa Loa (eye worm) hypothetical protein 0.002 0.0541 0.2769
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0187 0.0386
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0087 0.2929 1
Echinococcus granulosus p2X purinoceptor 4 0.0284 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0119 0.0464
Treponema pallidum ATP-dependent DNA helicase 0.0005 0 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0187 0.0068
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0728 0.0616
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0057 0.1865 0.6366
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Loa Loa (eye worm) hypothetical protein 0.0057 0.1865 1
Toxoplasma gondii Nucleoside-diphosphatase 0.0057 0.1865 0.6366
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0009 0.0119 0.0119
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0422 0.144
Schistosoma mansoni P2X receptor subunit 0.0284 1 1
Toxoplasma gondii NTPase II 0.0057 0.1865 0.6366
Schistosoma mansoni adenosine diphosphatase 0.0087 0.2929 0.2929
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0187 0.0068
Brugia malayi Cytochrome P450 family protein 0.0027 0.0783 0.3803
Trichomonas vaginalis adenosine diphosphatase, putative 0.0057 0.1865 1
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0057 0.1865 0.1865
Plasmodium falciparum nucleoside-diphosphatase, putative 0.0057 0.1865 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0187 0.0832
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1865 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0119 0.0464
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0087 0.2929 1
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0057 0.1865 1
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0728 0.3486
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0009 0.0119 0.0119
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Schistosoma mansoni DNA helicase recq1 0.0011 0.0187 0.0187
Plasmodium vivax nucleoside-diphosphatase mig-23, putative 0.0057 0.1865 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0783 0.4091
Echinococcus granulosus bloom syndrome protein 0.0026 0.0728 0.0616
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0187 0.0386
Entamoeba histolytica G protein alpha subunit, putative 0.0009 0.0119 0.3989
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0057 0.1865 1
Loa Loa (eye worm) RecQ helicase 0.0026 0.0728 0.3788
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0728 0.3486
Trichomonas vaginalis adenosine/guanosine diphosphatase, putative 0.0057 0.1865 1
Schistosoma mansoni P2X receptor subunit 0.0284 1 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Trypanosoma brucei nucleoside diphosphatase, putative 0.0087 0.2929 1
Trichomonas vaginalis adenosine diphosphatase, putative 0.0057 0.1865 1
Trypanosoma brucei nucleoside phosphatase, putative 0.0087 0.2929 1
Schistosoma mansoni P2X receptor subunit 0.0141 0.4861 0.4861
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0728 0.3486
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0187 0.0637
Echinococcus granulosus p2X purinoceptor 4 0.0284 1 1
Schistosoma mansoni P2X receptor subunit 0.0141 0.4861 0.4861
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0616 0.2558
Echinococcus multilocularis p2X purinoceptor 4 0.0284 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0187 0.0068
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0057 0.1865 0.1767
Echinococcus multilocularis p2X purinoceptor 4 0.0284 1 1
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0057 0.1865 0.6366
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0009 0.0119 0.0119
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0187 0.5
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0298 1
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.1865 1
Brugia malayi Nucleoside-diphosphatase mig-23 0.0057 0.1865 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0187 0.0637
Echinococcus multilocularis p2X purinoceptor 4 0.0284 1 1
Schistosoma mansoni guanosine-diphosphatase 0.0057 0.1865 0.1865
Schistosoma mansoni guanosine-diphosphatase 0.0057 0.1865 0.1865

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Percentage inhibition of [3H]-flunitrazepam binding to GABA-A benzodiazepine receptor of bovine brain membranes ChEMBL. 7783151
Inhibition (binding) = 0 % Percentage inhibition of [3H]-flunitrazepam binding to GABA-A benzodiazepine receptor of bovine brain membranes ChEMBL. 7783151

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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