Detailed information for compound 1435203

Basic information

Technical information
  • TDR Targets ID: 1435203
  • Name: N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxa mide
  • MW: 261.343 | Formula: C13H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 2.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)nns2)NC1CCCCC1
  • InChi: 1S/C13H15N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-12-11(8-9)15-16-18-12/h6-8,10H,1-5H2,(H,14,17)
  • InChiKey: CBGWYIJMLGPKSK-UHFFFAOYSA-N  

Network

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Synonyms

  • ZINC00270058
  • BAS 04320013
  • Benzo[1,2,3]thiadiazole-5-carboxylic acid cyclohexylamide

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 lysophospholipase, putative 0.0146 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 1 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0146 1 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 1 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.01 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0146 1 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 1 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0146 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0146 1 0.5
Leishmania major monoglyceride lipase, putative 0.0146 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0146 1 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0146 1 0.5
Brugia malayi amidase 0.01 0 0.5
Schistosoma mansoni amidase 0.01 0 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0146 1 0.5
Mycobacterium ulcerans lysophospholipase 0.0146 1 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0146 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0146 1 0.5
Plasmodium falciparum esterase, putative 0.0146 1 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0146 1 0.5
Plasmodium vivax PST-A protein 0.0146 1 0.5
Plasmodium falciparum lysophospholipase, putative 0.0146 1 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0146 1 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0146 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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