Detailed information for compound 1526959

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 377.35 | Formula: C20H15N3O5
  • H donors: 2 H acceptors: 3 LogP: 2.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1[N+](=O)[O-])C1C2=C(COC2=O)Nc2c1c1[nH]ccc1cc2
  • InChi: 1S/C20H15N3O5/c1-27-15-5-3-11(8-14(15)23(25)26)16-17-12(4-2-10-6-7-21-19(10)17)22-13-9-28-20(24)18(13)16/h2-8,16,21-22H,9H2,1H3
  • InChiKey: OADWSBYEDFEICH-UHFFFAOYSA-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
Onchocerca volvulus 0.0047 0.0353 0.5
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0047 0.0353 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 0.0353 0.0424
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0394 0.0043
Toxoplasma gondii hypothetical protein 0.0056 0.0625 1
Plasmodium vivax vivapain-2 0.0047 0.0353 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0394 0.0043
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0047 0.0353 0.5
Giardia lamblia Cathepsin B precursor 0.0052 0.0503 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.0503 0.0495
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 0.0353 0.0424
Echinococcus multilocularis cathepsin b 0.0142 0.3391 0.4071
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Leishmania major cysteine peptidase A (CPA) 0.0047 0.0353 0.0353
Mycobacterium tuberculosis Conserved hypothetical protein 0.0183 0.471 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0394 0.0043
Echinococcus granulosus tachykinin peptides receptor 99D 0.0295 0.833 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0142 0.3391 1
Echinococcus multilocularis cysteine protease 0.0047 0.0353 0.0424
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0347 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0047 0.0353 0.0424
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0394 0.0043
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.0503 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0047 0.0353 0.0424
Onchocerca volvulus 0.0047 0.0353 0.5
Onchocerca volvulus 0.0047 0.0353 0.5
Echinococcus multilocularis cysteine protease 0.0047 0.0353 0.0424
Giardia lamblia Cathepsin B precursor 0.0052 0.0503 0.5
Plasmodium falciparum cysteine proteinase falcipain 3 0.0047 0.0353 0.5
Echinococcus granulosus cathepsin l1 0.0047 0.0353 0.0424
Echinococcus multilocularis cathepsin b 0.0142 0.3391 0.4071
Echinococcus granulosus cathepsin b 0.0142 0.3391 0.4071
Trypanosoma brucei cysteine peptidase C (CPC) 0.0052 0.0503 0.0156
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Onchocerca volvulus 0.0047 0.0353 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.3391 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0164 0.4112 0.4112
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0347 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0052 0.0503 0.0156
Plasmodium vivax vivapain-2 0.0047 0.0353 0.5
Loa Loa (eye worm) cathepsin B 0.0052 0.0503 0.0495
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0353 0.5
Brugia malayi cathepsin B-like cysteine proteinase 0.0142 0.3391 1
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.3391 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0164 0.4112 0.3897
Onchocerca volvulus 0.0047 0.0353 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.3391 1
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Entamoeba histolytica cysteine protease, putative 0.0047 0.0353 0.5
Mycobacterium ulcerans hypothetical protein 0.0183 0.471 0.5
Echinococcus granulosus cathepsin b 0.0142 0.3391 0.4071
Onchocerca volvulus Cathepsin L homolog 0.0047 0.0353 0.5
Onchocerca volvulus 0.0047 0.0353 0.5
Onchocerca volvulus Cathepsin F homolog 0.0047 0.0353 0.5
Onchocerca volvulus 0.0047 0.0353 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0047 0.0353 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0047 0.0353 0.0424
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.3391 1
Onchocerca volvulus Cathepsin L homolog 0.0047 0.0353 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0047 0.0353 0.0424
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0295 0.833 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0142 0.3391 0.3149
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0052 0.0503 0.0503
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0738 0.0399
Toxoplasma gondii cathepsin B 0.0052 0.0503 0.5522
Leishmania major cathepsin L-like protease 0.0047 0.0353 0.0353
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0164 0.4112 0.3897
Giardia lamblia Cathepsin B precursor 0.0052 0.0503 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0347 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 2.4 uM Cytotoxicity against human COLO205 cells after 48 hrs by sulforhodamine B based ELISA ChEMBL. 21402478

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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