Detailed information for compound 258144

Basic information

Technical information
  • TDR Targets ID: 258144
  • Name: 1-(2-chlorophenyl)sulfonylpyrrole-2-carboxyli c acid
  • MW: 285.704 | Formula: C11H8ClNO4S
  • H donors: 1 H acceptors: 4 LogP: 2.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1S(=O)(=O)n1cccc1C(=O)O
  • InChi: 1S/C11H8ClNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-7H,(H,14,15)
  • InChiKey: VNSHVIMXDPKVOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-chlorophenyl)sulfonyl-2-pyrrolecarboxylic acid
  • 173908-49-1
  • AIDS043497
  • 1-(2-(Chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylic acid
  • 1H-Pyrrole-2-carboxylic acid, 1-((2-chlorophenyl)sulfonyl)-
  • 1-[2-(Chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylic acid
  • 1H-Pyrrole-2-carboxylic acid, 1-[(2-chlorophenyl)sulfonyl]-
  • AIDS-043497

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 Sex muscle abnormal protein 5 0.0064 0.0181 0.0181
Echinococcus granulosus tyrosine protein kinase Src42A 0.0282 0.1436 0.1436
Echinococcus granulosus tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Trypanosoma brucei protein kinase, putative 0.177 1 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0322 0.1668 0.1668
Echinococcus multilocularis protein kinase shaggy 0.177 1 1
Schistosoma mansoni tyrosine kinase 0.0322 0.1668 0.1668
Loa Loa (eye worm) hypothetical protein 0.01 0.0391 0.0391
Echinococcus granulosus tyrosine protein kinase Src64B 0.0322 0.1668 0.1668
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0391 0.0391
Echinococcus granulosus glycogen synthase kinase 3 beta 0.177 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0041 0.0052 0.0052
Brugia malayi SH2 domain containing protein 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine kinase 0.0291 0.1488 0.1488
Schistosoma mansoni tyrosine kinase 0.0041 0.0052 0.0052
Brugia malayi hypothetical protein 0.0041 0.0052 0.0052
Schistosoma mansoni tyrosine kinase 0.0073 0.0233 0.0233
Mycobacterium ulcerans hypothetical protein 0.01 0.0391 0.0285
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0322 0.1668 0.1668
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0391 0.0285
Echinococcus multilocularis tyrosine protein kinase Abl 0.0073 0.0233 0.0233
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.01 0.0391 0.0285
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Onchocerca volvulus 0.0041 0.0052 0.0052
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0322 0.1668 0.1668
Schistosoma mansoni growth factor receptor-bound protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0075 0.0245 0.0245
Trichomonas vaginalis CMGC family protein kinase 0.177 1 0.5
Schistosoma mansoni adapter molecule crk 0.0064 0.0181 0.0181
Entamoeba histolytica protein kinase, putative 0.0259 0.1302 0.1302
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.177 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0075 0.0245 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.01 0.0391 0.0391
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0064 0.0181 0.0181
Entamoeba histolytica protein kinase domain containing protein 0.177 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0245 0.0245
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0073 0.0233 0.0233
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase Lyn 0.0339 0.1766 0.1766
Entamoeba histolytica protein kinase, putative 0.177 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0391 0.0391
Brugia malayi AMP-binding enzyme family protein 0.01 0.0391 0.0391
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.177 1 1
Onchocerca volvulus 0.0041 0.0052 0.0052
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0391 0.0285
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0041 0.0052 0.0052
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0291 0.1488 0.1488
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0041 0.0052 0.0052
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.177 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.177 1 0.5
Schistosoma mansoni tyrosine kinase 0.0322 0.1668 0.1668
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.177 1 1
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0962 0.5348 1
Echinococcus granulosus tyrosine kinase 0.0041 0.0052 0.0052
Brugia malayi Protein kinase domain containing protein 0.0041 0.0052 0.0052
Echinococcus multilocularis growth factor receptor bound protein 2 0.0064 0.0181 0.0181
Schistosoma mansoni tyrosine kinase 0.0073 0.0233 0.0233
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0322 0.1668 0.1668
Echinococcus multilocularis tyrosine protein kinase Blk 0.0291 0.1488 0.1488
Giardia lamblia Kinase, CMGC GSK 0.177 1 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0291 0.1488 0.1488
Echinococcus granulosus growth factor receptor bound protein 2 0.0064 0.0181 0.0181
Entamoeba histolytica protein kinase domain containing protein 0.177 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0291 0.1488 0.1488
Mycobacterium ulcerans fatty-acid-CoA ligase 0.01 0.0391 0.0285
Schistosoma mansoni nck2/grb4 0.0064 0.0181 0.0181
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Mycobacterium ulcerans haloalkane dehalogenase 0.0962 0.5348 1
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Echinococcus multilocularis NCK adaptor protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) CMGC/GSK protein kinase 0.177 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0282 0.1436 0.1436
Plasmodium falciparum glycogen synthase kinase 3 0.177 1 1
Brugia malayi Protein kinase domain containing protein 0.0041 0.0052 0.0052
Echinococcus multilocularis tyrosine kinase 0.0041 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0075 0.0245 0.0245
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.01 0.0391 0.0285
Brugia malayi SH2 domain containing protein 0.0041 0.0052 0.0052
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK protein kinase 0.0291 0.1488 0.1488
Brugia malayi protein-tyrosine kinase 0.0291 0.1488 0.1488
Onchocerca volvulus 0.0041 0.0052 0.0052
Onchocerca volvulus 0.0048 0.0093 0.0093
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0064 0.0181 0.0181
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Echinococcus granulosus protein kinase shaggy 0.177 1 1
Giardia lamblia Kinase, CMGC GSK 0.177 1 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0322 0.1668 0.1668
Brugia malayi AMP-binding enzyme family protein 0.01 0.0391 0.0391
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase ABL1 0.0041 0.0052 0.0052
Brugia malayi Tyrosine-protein kinase abl-1 0.0073 0.0233 0.0233
Schistosoma mansoni serine/threonine protein kinase 0.004 0.0047 0.0047
Echinococcus granulosus NCK adaptor protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0064 0.0181 0.0181
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0073 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0075 0.0245 0.0245
Loa Loa (eye worm) CMGC/GSK protein kinase 0.177 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0073 0.0233 0.0233
Loa Loa (eye worm) SRC-1 0.0322 0.1668 0.1668
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0391 0.5
Brugia malayi Protein kinase domain containing protein 0.0041 0.0052 0.0052
Onchocerca volvulus 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase Fyn 0.0322 0.1668 0.1668
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0075 0.0245 0.0046
Schistosoma mansoni tyrosine kinase 0.0041 0.0052 0.0052
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.01 0.0391 0.033
Brugia malayi Protein kinase domain containing protein 0.0041 0.0052 0.0052
Brugia malayi Variant SH3 domain containing protein 0.0064 0.0181 0.0181
Echinococcus granulosus tyrosine protein kinase Src42A 0.0322 0.1668 0.1668
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.177 1 0.5
Echinococcus granulosus tyrosine protein kinase Srms 0.0041 0.0052 0.0052
Brugia malayi Variant SH3 domain containing protein 0.0064 0.0181 0.0181
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0391 0.0285
Loa Loa (eye worm) hypothetical protein 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK protein kinase 0.0259 0.1302 0.1302
Onchocerca volvulus 0.0041 0.0052 0.0052
Echinococcus multilocularis c src tyrosine kinase 0.0073 0.0233 0.0233
Echinococcus granulosus c src tyrosine kinase 0.0073 0.0233 0.0233
Brugia malayi SRC-1 0.0322 0.1668 0.1668
Onchocerca volvulus 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase shark 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Echinococcus granulosus tyrosine protein kinase Blk 0.0291 0.1488 0.1488
Brugia malayi AMP-binding enzyme family protein 0.01 0.0391 0.0391
Plasmodium vivax glycogen synthase kinase 3, putative 0.177 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0322 0.1668 0.1668
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.01 0.0391 0.0285
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0322 0.1668 0.1668
Entamoeba histolytica protein kinase, putative 0.0049 0.0098 0.0098
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0322 0.1668 0.1668
Echinococcus multilocularis tyrosine protein kinase shark 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK/ABL protein kinase 0.0041 0.0052 0.0052
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0391 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0075 0.0245 0.0245
Echinococcus granulosus tyrosine protein kinase HCK 0.0259 0.1302 0.1302
Onchocerca volvulus 0.01 0.0391 0.0391
Brugia malayi Protein kinase domain containing protein 0.0041 0.0052 0.0052
Loa Loa (eye worm) TK/FER protein kinase 0.0041 0.0052 0.0052
Schistosoma mansoni growth factor receptor-bound protein 0.0064 0.0181 0.0181
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0049 0.0098 0.0098
Echinococcus multilocularis tyrosine protein kinase HCK 0.0259 0.1302 0.1302
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0391 0.0391
Onchocerca volvulus 0.177 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0391 0.0391
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.01 0.0391 0.033

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 300 uM Concentration required to reduce the viability of mock-infected MT-4 cells by 50% ChEMBL. 8558522
CC50 (functional) > 300 uM Concentration required to reduce the viability of mock-infected MT-4 cells by 50% ChEMBL. 8558522
EC50 (functional) = 247 uM Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells ChEMBL. 8558522
EC50 (functional) = 247 uM Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells ChEMBL. 8558522

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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