Detailed information for compound 936543

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.765 | Formula: C14H9ClN4O2S
  • H donors: 1 H acceptors: 4 LogP: 4.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)[N+](=O)[O-])Nc1scc(n1)c1ccccn1
  • InChi: 1S/C14H9ClN4O2S/c15-9-4-5-11(13(7-9)19(20)21)17-14-18-12(8-22-14)10-3-1-2-6-16-10/h1-8H,(H,17,18)
  • InChiKey: DWIPAVWLRDGPNJ-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
Toxoplasma gondii hypothetical protein 0.005 0 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0827 0.1955 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0827 0.1955 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0876 0.208 0.208
Giardia lamblia ENC6 protein 0.005 0 0.5
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.012 0.0177 0.0177
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0827 0.1955 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.012 0.0177 0.0849
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0147 0.0245 0.1033
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.012 0.0177 0.0744
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.012 0.0177 0.0177
Mycobacterium ulcerans amidase 0.012 0.0177 0.0177
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.005 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0159 0.0276 0.0276
Loa Loa (eye worm) amidase 0.012 0.0177 0.0744
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.012 0.0177 0.5
Mycobacterium ulcerans hypothetical protein 0.0827 0.1955 0.1955
Brugia malayi amidase 0.0993 0.2373 1
Plasmodium falciparum lysophospholipase, putative 0.0827 0.1955 1
Trichomonas vaginalis conserved hypothetical protein 0.0827 0.1955 1
Trypanosoma brucei monoglyceride lipase, putative 0.0827 0.1955 1
Trichomonas vaginalis conserved hypothetical protein 0.0827 0.1955 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0993 0.2373 1
Mycobacterium ulcerans amidase 0.012 0.0177 0.0177
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.012 0.0177 0.0177
Echinococcus granulosus fatty acid amide hydrolase 1 0.0993 0.2373 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0993 0.2373 1
Mycobacterium ulcerans amidase 0.012 0.0177 0.0177
Echinococcus granulosus fatty acid amide hydrolase 1 0.0993 0.2373 1
Trypanosoma cruzi amidase, putative 0.012 0.0177 0.0903
Onchocerca volvulus 0.0159 0.0276 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0827 0.1955 0.5
Loa Loa (eye worm) hypothetical protein 0.0993 0.2373 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.012 0.0177 0.0177
Giardia lamblia Protein phosphatase methylesterase-1 0.005 0 0.5
Brugia malayi Amidase family protein 0.012 0.0177 0.0744
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.012 0.0177 0.0903
Plasmodium falciparum lysophospholipase, putative 0.0827 0.1955 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.012 0.0177 0.0744
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0159 0.0276 0.1162
Echinococcus granulosus patatin phospholipase domain containing protein 0.0159 0.0276 0.1162
Schistosoma mansoni amidase 0.0993 0.2373 1
Loa Loa (eye worm) amidase 0.012 0.0177 0.0744
Giardia lamblia Hypothetical protein 0.005 0 0.5
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.012 0.0177 0.0177
Mycobacterium ulcerans amidase 0.012 0.0177 0.0177
Toxoplasma gondii chain a, pp2a-specific methylesterase apo form (pme), putative 0.005 0 0.5
Plasmodium falciparum esterase, putative 0.0827 0.1955 1
Toxoplasma gondii hypothetical protein 0.005 0 0.5
Brugia malayi Amidase family protein 0.012 0.0177 0.0744
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0159 0.0276 0.1162
Toxoplasma gondii hypothetical protein 0.005 0 0.5
Mycobacterium ulcerans lysophospholipase 0.0827 0.1955 0.1955
Leishmania major monoglyceride lipase, putative 0.0827 0.1955 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0827 0.1955 1
Giardia lamblia Hypothetical protein 0.005 0 0.5
Leishmania major hypothetical protein, conserved 0.012 0.0177 0.0903
Plasmodium falciparum lysophospholipase, putative 0.0827 0.1955 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.012 0.0177 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.012 0.0177 0.0744
Treponema pallidum hypothetical protein 0.0137 0.0221 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.012 0.0177 0.0849
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.012 0.0177 0.0744
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0827 0.1955 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0993 0.2373 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.005 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.012 0.0177 0.0744
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.012 0.0177 0.7983
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0147 0.0245 0.1033
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0827 0.1955 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.012 0.0177 0.0177
Trypanosoma brucei monoglyceride lipase, putative 0.0827 0.1955 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0827 0.1955 1
Giardia lamblia Hypothetical protein 0.005 0 0.5
Brugia malayi putative amidase 0.012 0.0177 0.0744
Loa Loa (eye worm) hypothetical protein 0.0159 0.0276 0.1162
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.4024 1 1
Mycobacterium ulcerans peptide amidase, GatA 0.012 0.0177 0.0177
Trypanosoma cruzi amidase, putative 0.012 0.0177 0.0903
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0876 0.208 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0827 0.1955 0.5
Plasmodium vivax PST-A protein 0.0827 0.1955 1
Mycobacterium ulcerans amidase 0.012 0.0177 0.0177
Echinococcus granulosus fatty acid amide hydrolase 1 0.012 0.0177 0.0744

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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