Detailed information for compound 1801090

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.971 | Formula: C23H22ClN5O2S
  • H donors: 3 H acceptors: 3 LogP: 3.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ncc(n1Cc1ccccc1)C1NC(=O)NC(=C1C(=O)Nc1ccccc1Cl)C
  • InChi: 1S/C23H22ClN5O2S/c1-14-19(21(30)27-17-11-7-6-10-16(17)24)20(28-22(31)26-14)18-12-25-23(32-2)29(18)13-15-8-4-3-5-9-15/h3-12,20H,13H2,1-2H3,(H,27,30)(H2,26,28,31)
  • InChiKey: HZZSTFBQXRKGNB-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
Trichomonas vaginalis lipase containing protein, putative 0.1487 1 1
Entamoeba histolytica lipase, putative 0.0028 0.0064 0.5
Trypanosoma brucei triacylglycerol lipase, putative 0.0028 0.0064 0.0064
Loa Loa (eye worm) lipase 0.1487 1 1
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Trypanosoma brucei lipase domain protein, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase domain protein, putative 0.0028 0.0064 0.0064
Brugia malayi Lipase family protein 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Giardia lamblia Hypothetical protein 0.0028 0.0064 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0064 0.0064
Leishmania major lipase precursor-like protein 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0 0.5
Giardia lamblia hypothetical protein 0.0028 0.0064 0.5
Trypanosoma cruzi Lipase (class 3), putative 0.0028 0.0064 0.0064
Toxoplasma gondii lipase 0.0028 0.0064 0.5
Trypanosoma cruzi Triglyceride lipase, putative 0.0028 0.0064 0.0064
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0069 0.0069
Leishmania major hypothetical protein, conserved 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Leishmania major lipase, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase domain protein, putative 0.0028 0.0064 0.0064
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Leishmania major class 3 lipase, putative 0.0028 0.0064 0.0064
Brugia malayi Cytochrome P450 family protein 0.0029 0.0069 0.0069
Trypanosoma brucei lipase, putative 0.0028 0.0064 0.0064
Entamoeba histolytica lipase, putative 0.0028 0.0064 0.5
Entamoeba histolytica lipase, putative 0.0028 0.0064 0.5
Brugia malayi Lipase family protein 0.0028 0.0064 0.0064
Onchocerca volvulus 0.1487 1 1
Giardia lamblia Hypothetical protein 0.0028 0.0064 0.5
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Trypanosoma brucei Triglyceride lipase, putative 0.0028 0.0064 0.0064
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Leishmania major hypothetical protein, conserved 0.1487 1 1
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Trypanosoma brucei lipase-like protein, putative 0.0028 0.0064 0.0064
Leishmania major lipase, putative;with=GeneDB:LinJ31_V3.0860 0.0028 0.0064 0.0064
Trypanosoma brucei lipase domain protein, putative 0.1487 1 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0064 0.5
Loa Loa (eye worm) lipase 0.0028 0.0064 0.0064
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Trichomonas vaginalis lipase containing protein, putative 0.1487 1 1
Toxoplasma gondii lipase 0.0028 0.0064 0.5
Giardia lamblia hypothetical protein 0.0028 0.0064 0.5
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064
Toxoplasma gondii lipase 0.0028 0.0064 0.5
Plasmodium falciparum lipase, putative 0.0028 0.0064 0.5
Trypanosoma cruzi lipase-like protein, putative 0.0028 0.0064 0.0064
Leishmania major hypothetical protein, unknown function 0.0028 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0064 0.0064
Brugia malayi Lipase family protein 0.0028 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0064 0.0064
Leishmania major hypothetical protein, conserved 0.0028 0.0064 0.0064
Leishmania major hypothetical protein, conserved 0.0028 0.0064 0.0064
Leishmania major hypothetical protein, unknown function 0.0028 0.0064 0.0064
Trypanosoma brucei Lipase (class 3), putative 0.0028 0.0064 0.0064
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1487 1 1
Toxoplasma gondii lipase 0.0028 0.0064 0.5
Brugia malayi Lipase family protein 0.0028 0.0064 0.0064
Trypanosoma brucei lipase domain protein, putative 0.1487 1 1
Loa Loa (eye worm) lipase 0.0028 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.1487 1 1
Giardia lamblia Hypothetical protein 0.0028 0.0064 0.5
Leishmania major lipase domain protein, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.1487 1 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.1487 1 1
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.5
Schistosoma mansoni lipase 0.0028 0.0064 0.5
Entamoeba histolytica lipase, putative 0.0028 0.0064 0.5
Trypanosoma brucei Triglyceride lipase, putative 0.0028 0.0064 0.0064
Trypanosoma cruzi lipase, putative 0.0028 0.0064 0.0064

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 256 ug ml-1 Antimicrobial activity against Candida albicans PTCC 5027 after 24 hr by Alamar blue assay ChEMBL. No reference
MIC (functional) = 512 ug ml-1 Antimicrobial activity against Escherichia coli PTCC 1338 after 24 hr by Alamar blue assay ChEMBL. No reference

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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