Detailed information for compound 882316

Basic information

Technical information
  • TDR Targets ID: 882316
  • Name: 3-chloro-4-[(4-iodophenyl)amino]-1-(phenylmet hyl)pyrrole-2,5-dione
  • MW: 438.647 | Formula: C17H12ClIN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)Cc1ccccc1
  • InChi: 1S/C17H12ClIN2O2/c18-14-15(20-13-8-6-12(19)7-9-13)17(23)21(16(14)22)10-11-4-2-1-3-5-11/h1-9,20H,10H2
  • InChiKey: YOJIBZCVHZTAGH-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(benzyl)-3-chloro-4-[(4-iodophenyl)amino]-3-pyrroline-2,5-quinone
  • ST5192125
  • AF-399/40881739
  • ZINC00723956

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
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0595 0.1329 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0429 0.0557 0.0557
Plasmodium falciparum peptidase, putative 0.0309 0 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2462 1 1
Trypanosoma cruzi oligopeptidase b 0.0595 0.1329 0.3271
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1099 0.3668 0.8558
Entamoeba histolytica prolyl oligopeptidase family protein 0.0309 0 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0309 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.1099 0.3668 0.3668
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1099 0.3668 0.903
Brugia malayi hypothetical protein 0.067 0.1676 0.1676
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2462 1 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0309 0 0.5
Trypanosoma cruzi oligopeptidase b 0.0595 0.1329 0.3271
Entamoeba histolytica prolyl oligopeptidase family protein 0.0309 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1099 0.3668 0.903
Loa Loa (eye worm) hypothetical protein 0.1184 0.4062 0.4062
Entamoeba histolytica prolyl oligopeptidase family protein 0.0309 0 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0595 0.1329 0.3271
Echinococcus granulosus Dipeptidyl peptidase 9 0.1099 0.3668 0.3668
Plasmodium vivax hypothetical protein, conserved 0.0309 0 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1184 0.4062 0.4062
Echinococcus granulosus prolyl endopeptidase 0.1184 0.4062 0.4062
Brugia malayi prolyl oligopeptidase family protein 0.1184 0.4062 0.4062
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.1099 0.3668 0.3668
Trypanosoma brucei oligopeptidase b 0.0595 0.1329 0.3271
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0309 0 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1184 0.4062 0.4062
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2462 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2462 1 1
Toxoplasma gondii prolyl endopeptidase 0.1184 0.4062 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0595 0.1329 0.3271
Trypanosoma brucei prolyl endopeptidase 0.1184 0.4062 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0595 0.1329 0.3271
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0309 0 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0595 0.1329 0.3271
Giardia lamblia Alanyl dipeptidyl peptidase 0.0309 0 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1099 0.3668 0.903
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0979 0.3112 0.766
Trypanosoma cruzi prolyl endopeptidase 0.1184 0.4062 1
Echinococcus multilocularis prolyl endopeptidase 0.1184 0.4062 0.4062
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0875 0.2626 1
Loa Loa (eye worm) hypothetical protein 0.067 0.1676 0.1676
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1184 0.4062 1
Entamoeba histolytica hypothetical protein, conserved 0.0309 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.1099 0.3668 0.3668
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1099 0.3668 0.903
Trichomonas vaginalis conserved hypothetical protein 0.0309 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0595 0.1329 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0309 0 0.5

Activities

No activities found for this compound.

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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