Detailed information for compound 941320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.85 | Formula: C16H18ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 4.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1S(=O)(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-])C.Cl
  • InChi: 1S/C16H17N3O4S.ClH/c1-11-8-12(2)16(13(3)9-11)24(22,23)18-17-10-14-4-6-15(7-5-14)19(20)21;/h4-10,18H,1-3H3;1H/b17-10+;
  • InChiKey: NUODYEMIQIIEOG-LZMXEPDESA-N  


Substructure search Similarity search

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 transcription factor LCR-F1 0.0039 0.7959 0.7959
Schistosoma mansoni DNA polymerase eta 0.0044 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.7959 0.7959
Leishmania major DNA polymerase eta, putative 0.0044 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0 0.5
Echinococcus multilocularis dna polymerase eta 0.0044 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.4775 0.4775
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.7959 0.7959
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0044 1 1
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.7959 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.4775 0.5
Leishmania major DNA polymerase eta, putative 0.0031 0.4775 0.4775
Echinococcus granulosus dna polymerase eta 0.0044 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.7959 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.7959 1
Schistosoma mansoni hypothetical protein 0.0039 0.7959 0.7959
Brugia malayi hypothetical protein 0.0039 0.7959 0.7959
Entamoeba histolytica hypothetical protein 0.0039 0.7959 1

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 150 mg kg-1 Maximum effective daily dose required to inhibit the tumours of P388 leukemia ChEMBL. 3965708
T/C (functional) = 121 % Ratio of average survival time of treated to control mice bearing P388 leukemia ChEMBL. 3965708
T/C (functional) = 231 % Ratio of average survival time of treated to control mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
Time (functional) = 14.2 day Compound was evaluated for antitumor activity in mice (control group) bearing P388 leukemic cells from average survival time ChEMBL. 3965708
Time (functional) = 17.2 day Compound was evaluated for antitumor activity in mice bearing P388 leukemic cells from average survival time ChEMBL. 3965708
Weight change (functional) = -10.2 % Average change in body weight from onset to the termination of drug therapy in mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
Weight change (functional) = -3.5 % Compound was evaluated for average change in body weight from onset to the termination of drug therapy in mice bearing P388 leukemic cells ChEMBL. 3965708

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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