Detailed information for compound 1187301

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.782 | Formula: C16H15ClN6O3
  • H donors: 1 H acceptors: 4 LogP: 1.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)N1CCC(CC1)n1nnc(c1)c1noc(=O)[nH]1
  • InChi: 1S/C16H15ClN6O3/c17-11-3-1-10(2-4-11)15(24)22-7-5-12(6-8-22)23-9-13(19-21-23)14-18-16(25)26-20-14/h1-4,9,12H,5-8H2,(H,18,20,25)
  • InChiKey: WHGHINZOYKVHEU-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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0232 0.0232
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0232 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0052 0.2776 0.2776
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.2088 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0232 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0232 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2776 0.2776
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.2088 0.2118
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0052 0.2776 0.2776
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0052 0.2776 0.2814
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0052 0.2776 0.2776
Loa Loa (eye worm) hypothetical protein 0.0052 0.2776 0.2776
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0232 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.2088 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0052 0.2776 0.2776
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.2088 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0052 0.2776 0.2814
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1814 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0232 0.0232
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0232 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2608 0.2608
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0232 0.0232
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.2088 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.9686 0.982
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1401 0.1401
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2608 0.2608
Schistosoma mansoni ap endonuclease 0.0019 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0034 0.1401 0.1401
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.2088 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0232 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.2608 0.2608
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0145 0.9863 0.9863
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1814 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0052 0.2776 0.2776
Onchocerca volvulus 0.0052 0.2776 0.5
Onchocerca volvulus Deterin homolog 0.0052 0.2776 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.2776 0.2776
Schistosoma mansoni hypothetical protein 0.0034 0.1401 0.1401
Schistosoma mansoni ap endonuclease 0.0019 0.0232 0.0232
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0145 0.9863 0.9863
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1814 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0145 0.9863 0.9863
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0052 0.2776 0.2776
Echinococcus multilocularis max protein X 0.0145 0.9863 0.9863
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0232 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0232 0.0235
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0232 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2608 0.2608
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0145 0.9863 0.9863
Echinococcus granulosus max protein X 0.0145 0.9863 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 40 ug ml-1 Antifungal activity against Candida albicans NCIM 3471 by agar plate assay ChEMBL. 19464891
MIC (functional) = 40 ug ml-1 Antifungal activity against Cryptococcus neoformans NCIM 576 by agar plate assay ChEMBL. 19464891

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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