Detailed information for compound 500212

Basic information

Technical information
  • TDR Targets ID: 500212
  • Name: 2-chloro-4-nitro-N-(4-pyrrolidin-1-ylsulfonyl phenyl)benzamide
  • MW: 409.844 | Formula: C17H16ClN3O5S
  • H donors: 1 H acceptors: 5 LogP: 2.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1Cl)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N1CCCC1
  • InChi: 1S/C17H16ClN3O5S/c18-16-11-13(21(23)24)5-8-15(16)17(22)19-12-3-6-14(7-4-12)27(25,26)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,19,22)
  • InChiKey: XVXIXZFDDBPEFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-4-nitro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
  • 2-chloro-4-nitro-N-(4-pyrrolidinosulfonylphenyl)benzamide
  • 2-chloro-4-nitro-N-(4-1-pyrrolidinylsulfonylphenyl)benzamide
  • AS-60d

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.7501 0.7477
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.006 0.1881 0.1803
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0177 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0274 0.0274
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.006 0.1881 0.1803
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.5011 0.4963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.438 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.5011 0.4963
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.5714 0.5673
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.438 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.437 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1062 0.0976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.5978 0.594
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0337 0.0244
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.5084 0.5037
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0141 0.7511 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.438 0.4327
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0169 0.0075
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0337 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.438 0.4327
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.5084 0.5037
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0572 0.0481
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.5084 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Toxoplasma gondii target of rapamycin (TOR), putative 0.0132 0.687 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.7501 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0151 0.8214 0.8197
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0177 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0037 0.0359 0.039
Giardia lamblia GTOR 0.0177 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.7501 0.7477
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.437 0.4316
Trypanosoma cruzi target of rapamycin kinase 3 0.0141 0.7511 0.7487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.437 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.7501 0.7477
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0177 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0359 0.0359
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.006 0.1881 0.1803
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0337 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.687 0.684
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0337 0.0244
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0359 0.0266
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0141 0.7511 0.7487
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0141 0.7501 0.7477
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0074 0.2858 0.279
Loa Loa (eye worm) hypothetical protein 0.0034 0.0095 0.0095
Loa Loa (eye worm) phosphatidylinositol 3 0.0177 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0177 1 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0572 0.0481
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0169 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1881 0.1803
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0084 0.3561 0.35
Trichomonas vaginalis PIKK family atypical protein kinase 0.006 0.1881 0.1803
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.1881 0.1881
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.006 0.1881 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 300 uM Cytotoxicity against Vero cells by MTT assay ChEMBL. 17643302
EC50 (functional) > 75 uM Antiviral activity against Measles virus Alaska assessed as inhibition of viral-induced cytopathicity ChEMBL. 17643302

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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