Detailed information for compound 1154493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.386 | Formula: C17H16N2O2S
  • H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1cncc1c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C17H16N2O2S/c1-13-3-7-15(8-4-13)19-12-18-11-17(19)14-5-9-16(10-6-14)22(2,20)21/h3-12H,1-2H3
  • InChiKey: YEPWZBKIAJIDFD-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 gcn5proteinral control of amino acid synthesis 0.014 0.4735 0.7343
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0419 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.6297 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.1445 0.1745
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.1205 0.1205
Schistosoma mansoni flap endonuclease-1 0.0023 0.0328 0.0328
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.1205 0.1822
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0099 0.3192 0.4717
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1953 0.1953
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0419 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.3192 0.3192
Onchocerca volvulus 0.0046 0.1205 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.1021 0.1024
Toxoplasma gondii melibiase subfamily protein 0.0099 0.3192 1
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.1205 0.1338
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.1021 0.3924
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.4588 0.7092
Loa Loa (eye worm) MBCTL1 0.0052 0.1445 0.2377
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0419 0.5
Brugia malayi mbt repeat family protein 0.0046 0.1205 0.1822
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.1205 0.1338
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.6297 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.3192 0.3192
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0099 0.3192 0.4717
Brugia malayi Melibiase family protein 0.0066 0.1953 0.3554
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.1445 0.1745
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.1445 0.1445
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.1445 0.1745
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.4735 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.1205 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1205 0.1205
Loa Loa (eye worm) acetyltransferase 0.014 0.4735 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0892 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.3192 0.3192
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.1205 0.1338
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0892 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1953 0.3554
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.1021 0.3199
Brugia malayi mbt repeat family protein 0.0046 0.1205 0.1822
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.1021 0.3199
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.1021 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1953 0.1953
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.1445 0.2377
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.1953 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.1021 0.3924
Loa Loa (eye worm) hypothetical protein 0.0046 0.1205 0.1822
Loa Loa (eye worm) hypothetical protein 0.0052 0.1445 0.2377
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0892 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0419 0.1313
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.1205 0.1338
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.1445 0.1745
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.3192 0.3192
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0099 0.3192 0.4717
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.1205 0.1205
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.4735 0.4735

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 99 % Inhibition of COX-2-mediated PGE2 production in LPS-induced mouse RAW 264.7 cells at 10 uM after 24 hrs by EIA ChEMBL. 20554444

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

1 literature reference was collected for this gene.

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