Detailed information for compound 1127058

Basic information

Technical information
  • TDR Targets ID: 1127058
  • Name: 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidi ne-2-carboxylic acid
  • MW: 285.316 | Formula: C12H15NO5S
  • H donors: 2 H acceptors: 5 LogP: 0.58 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CC(N(C1)S(=O)(=O)c1ccc(cc1)C)C(=O)O
  • InChi: 1S/C12H15NO5S/c1-8-2-4-10(5-3-8)19(17,18)13-7-9(14)6-11(13)12(15)16/h2-5,9,11,14H,6-7H2,1H3,(H,15,16)
  • InChiKey: UAFPTDLCLKLJKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-hydroxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid
  • 4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid
  • 4-hydroxy-1-(4-methylphenyl)sulfonyl-proline
  • NSC165891
  • 4-Hydroxy-1-((4-methylphenyl)sulfonyl)proline
  • AIDS-151193
  • AIDS151193
  • NSC690774
  • SBB012252
  • Oprea1_617129
  • Oprea1_281947
  • BAS 00227648
  • 4-Hydroxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
  • N-p-toluenesulfonyl-allo-l-hydroxyproline
  • N-Tosyl-4-hydroxy-l-proline

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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.4841 0.4841
Echinococcus granulosus lamin dm0 0.0027 0.4841 0.4841
Brugia malayi intermediate filament protein 0.0027 0.4841 0.4841
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3785 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0835 0.0835
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Echinococcus granulosus lamin 0.0027 0.4841 0.4841
Schistosoma mansoni hypothetical protein 0.0011 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0013 0.0835 0.0835
Loa Loa (eye worm) hypothetical protein 0.0017 0.2095 0.2095
Loa Loa (eye worm) hypothetical protein 0.0023 0.3785 0.3785
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3785 0.3785
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0835 0.0835
Leishmania major hypothetical protein, conserved 0.0024 0.4208 1
Echinococcus multilocularis musashi 0.0027 0.4841 0.4841
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.3785 1
Schistosoma mansoni lamin 0.0027 0.4841 0.4841
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.4208 1
Echinococcus multilocularis lamin dm0 0.0027 0.4841 0.4841
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3785 0.3785
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.3785 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.4208 0.4208
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.2095 0.139
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.3785 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2095 0.2095
Schistosoma mansoni lamin 0.0027 0.4841 0.4841
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.1246 0.1246
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.3785 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.4208 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.4841 0.4841
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0287 0.0287
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.4841 0.4841
Loa Loa (eye worm) hypothetical protein 0.0027 0.4841 0.4841
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.4208 0.5
Echinococcus multilocularis lamin 0.0027 0.4841 0.4841
Loa Loa (eye worm) hypothetical protein 0.0026 0.4699 0.4699
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3785 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3785 0.3785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Onchocerca volvulus 0.0011 0.0338 0.0699
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3785 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.3785 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2095 0.2095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Echinococcus granulosus intermediate filament protein 0.0027 0.4841 0.4841
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.4208 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.3785 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3785 1
Onchocerca volvulus 0.0027 0.4841 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3785 0.3785
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.3785 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.3785 0.3785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Onchocerca volvulus 0.0027 0.4841 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.3785 1
Brugia malayi hypothetical protein 0.0024 0.4208 0.4208
Loa Loa (eye worm) hypothetical protein 0.0017 0.2095 0.2095
Onchocerca volvulus 0.0023 0.3785 0.782
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.4208 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.2095 0.2095
Loa Loa (eye worm) hypothetical protein 0.0012 0.0693 0.0693
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.2095 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.4208 0.5
Brugia malayi hypothetical protein 0.0016 0.1688 0.1688
Mycobacterium ulcerans hypothetical protein 0.0023 0.3785 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0287 0.0287
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.1246 0.1246
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3785 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0693 0.0693
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.3785 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.4841 0.4841
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.4208 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.