Detailed information for compound 1514109

Basic information

Technical information
  • TDR Targets ID: 1514109
  • Name: 3,4-dichloro-1-(2-phenylethyl)pyrrole-2,5-dio ne
  • MW: 270.111 | Formula: C12H9Cl2NO2
  • H donors: 0 H acceptors: 2 LogP: 3.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(CCc2ccccc2)C(=O)C(=C1Cl)Cl
  • InChi: 1S/C12H9Cl2NO2/c13-9-10(14)12(17)15(11(9)16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
  • InChiKey: PEVIFCOPDASLPN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-dichloro-1-(2-phenylethyl)-3-pyrroline-2,5-quinone
  • 3116-49-2
  • ZINC00131762
  • 2,3-Dichloro-N-phenethyl-maleimide
  • Maleimide, 2,3-dichloro-N-phenethyl-
  • ST5196317

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
Brugia malayi Cathepsin L-like cysteine proteinase 0.0058 0.2067 0.2067
Echinococcus multilocularis cysteine protease 0.0086 0.6495 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.2067 0.3182
Echinococcus multilocularis cathepsin L cysteine protease 0.0086 0.6495 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0086 0.6495 1
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Trypanosoma cruzi cysteine peptidase, putative 0.0086 0.6495 1
Onchocerca volvulus Cathepsin L homolog 0.0086 0.6495 0.5582
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trypanosoma cruzi cysteine peptidase, putative 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Onchocerca volvulus 0.0086 0.6495 0.5582
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Leishmania major cysteine peptidase A (CPA) 0.0086 0.6495 0.5
Echinococcus granulosus cathepsin l1 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Onchocerca volvulus 0.0086 0.6495 0.5582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0086 0.6495 1
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Entamoeba histolytica cysteine protease, putative 0.0086 0.6495 1
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Plasmodium vivax vivapain-2 0.0086 0.6495 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0086 0.6495 0.5582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0086 0.6495 1
Echinococcus multilocularis cysteine protease 0.0086 0.6495 1
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Onchocerca volvulus 0.0085 0.6314 0.5354
Entamoeba histolytica cysteine proteinase, putative 0.0058 0.2067 0.3182
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Onchocerca volvulus Cathepsin F homolog 0.0086 0.6495 0.5582
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Loa Loa (eye worm) cysteine protease 0.0086 0.6495 0.5582
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Onchocerca volvulus 0.0086 0.6495 0.5582
Onchocerca volvulus 0.0086 0.6495 0.5582
Loa Loa (eye worm) ctsf protein 0.0086 0.6495 0.5582
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Toxoplasma gondii cathepsin CPL 0.0086 0.6495 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Plasmodium vivax vivapain-2 0.0086 0.6495 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0086 0.6495 1
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Onchocerca volvulus 0.0086 0.6495 0.5582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Trypanosoma cruzi cysteine peptidase, putative 0.0086 0.6495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Brugia malayi Cathepsin L-like precursor 0.0058 0.2067 0.2067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.2067 0.3182
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0086 0.6495 0.5582
Echinococcus multilocularis cathepsin L cysteine protease 0.0086 0.6495 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0086 0.6495 1
Schistosoma mansoni cathepsin F (C01 family) 0.0058 0.2067 0.2067
Trypanosoma cruzi cruzipain precursor, putative 0.0086 0.6495 1
Schistosoma mansoni cathepsin F (C01 family) 0.0086 0.6495 0.6495
Loa Loa (eye worm) hypothetical protein 0.0086 0.6495 0.5582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Loa Loa (eye worm) fibroinase 0.0086 0.6495 0.5582
Onchocerca volvulus Cathepsin L homolog 0.0086 0.6495 0.5582
Brugia malayi Cathepsin L-like precursor 0.0086 0.6495 0.6495
Echinococcus granulosus cathepsin l1 0.0058 0.2067 0.3182
Onchocerca volvulus 0.0086 0.6495 0.5582
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0086 0.6495 1
Leishmania major cathepsin L-like protease 0.0086 0.6495 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.6495 1
Schistosoma mansoni cathepsin F (C01 family) 0.0086 0.6495 0.6495
Brugia malayi cathepsin L-like precursor 0.0058 0.2067 0.2067
Trypanosoma cruzi cysteine peptidase, putative 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0086 0.6495 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0058 0.2067 0.3182
Onchocerca volvulus 0.0086 0.6495 0.5582
Brugia malayi Cathepsin L-like precursor 0.0058 0.2067 0.2067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.6495 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0086 0.6495 1
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.6495 0.6495

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) > 10 ug ml-1 Cytotoxicity against human MCF7 cells assessed as cell growth after 2 days by sulforhodamine B assay ChEMBL. 21481593
GI50 (functional) > 10 ug ml-1 Cytotoxicity against human H460 cells assessed as cell growth after 2 days by sulforhodamine B assay ChEMBL. 21481593
GI50 (functional) > 10 ug ml-1 Cytotoxicity against human SF268 cells assessed as cell growth after 2 days by sulforhodamine B assay ChEMBL. 21481593
MFC (functional) = 7.81 ug ml-1 Antifungal activity against Saccharomyces cerevisiae ATCC 9763 ChEMBL. 21481593
MFC (functional) = 7.81 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 32264 ChEMBL. 21481593
MFC (functional) = 15.63 ug ml-1 Antifungal activity against Candida albicans ATCC 10213 ChEMBL. 21481593
MIC (functional) = 3.9 ug ml-1 Antifungal activity against Saccharomyces cerevisiae ATCC 9763 ChEMBL. 21481593
MIC (functional) = 7.81 ug ml-1 Antifungal activity against Candida albicans ATCC 10213 ChEMBL. 21481593
MIC (functional) = 7.81 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 32264 ChEMBL. 21481593

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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