Detailed information for compound 869536

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.818 | Formula: C19H18ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1oc2c(c1C)c1nn(cc1CC2)Cc1cccc(c1)Cl
  • InChi: 1S/C19H18ClN3O2/c1-11-16-15(25-18(11)19(24)21-2)7-6-13-10-23(22-17(13)16)9-12-4-3-5-14(20)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,21,24)
  • InChiKey: RLEWRJOUIVGZBP-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 prolyl oligopeptidase (S09 family) 0.0259 0.309 0.309
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0679 1 0.5
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0232 0.2644 0.2234
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0131 0.0986 0.0986
Leishmania major eukaryotic initiation factor 4a, putative 0.0679 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0103 0.0528 0.5
Trypanosoma brucei prolyl endopeptidase 0.0259 0.309 0.2705
Treponema pallidum ATP-dependent RNA helicase 0.0679 1 0.5
Echinococcus granulosus prolyl endopeptidase 0.0259 0.309 0.309
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0259 0.309 0.309
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0679 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0103 0.0528 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0131 0.0986 0.0986
Trypanosoma cruzi prolyl endopeptidase 0.0259 0.309 0.2705
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0679 1 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0679 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0679 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0131 0.0986 0.0986
Echinococcus multilocularis prolyl endopeptidase 0.0259 0.309 0.309
Echinococcus granulosus carbonic anhydrase II 0.0131 0.0986 0.0986
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0679 1 1
Echinococcus granulosus geminin 0.0165 0.1543 0.1543
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0259 0.309 0.2705
Loa Loa (eye worm) hypothetical protein 0.0259 0.309 0.309
Echinococcus multilocularis geminin 0.0165 0.1543 0.1543
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0679 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0131 0.0986 0.0986
Brugia malayi prolyl oligopeptidase family protein 0.0259 0.309 0.309
Trypanosoma brucei carbonic anhydrase-like protein 0.0131 0.0986 0.0483
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0679 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0679 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0131 0.0986 0.0986
Schistosoma mansoni hypothetical protein 0.0165 0.1543 0.1543
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0679 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0131 0.0986 0.0483
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0679 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0131 0.0986 0.0986
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0679 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0679 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.1543 0.1543
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0131 0.0986 0.0483
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0679 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0679 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0679 1 1
Leishmania major carbonic anhydrase-like protein 0.0131 0.0986 0.0483
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0679 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0131 0.0986 0.0986
Toxoplasma gondii prolyl endopeptidase 0.0259 0.309 0.309
Plasmodium vivax RNA helicase-1, putative 0.0679 1 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0679 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0679 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0679 1 1

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.
 
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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