Detailed information for compound 1575765

Basic information

Technical information
  • TDR Targets ID: 1575765
  • Name: (2R)-2-[(4-nitrophenyl)sulfonylamino]-2-pheny lacetic acid
  • MW: 336.32 | Formula: C14H12N2O6S
  • H donors: 2 H acceptors: 6 LogP: 2.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C14H12N2O6S/c17-14(18)13(10-4-2-1-3-5-10)15-23(21,22)12-8-6-11(7-9-12)16(19)20/h1-9,13,15H,(H,17,18)/t13-/m1/s1
  • InChiKey: VMUUBYKWPNNGRO-CYBMUJFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-[(4-nitrophenyl)sulfonylamino]-2-phenyl-acetic acid
  • (2R)-2-[(4-nitrophenyl)sulfonylamino]-2-phenyl-ethanoic acid
  • NSC626935
  • NCI60_008527

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) initiation factor 2-associated protein 0.005 0.8682 0.773
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Echinococcus granulosus aldo keto reductase 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Toxoplasma gondii methionine aminopeptidase 0.0054 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.005 0.8682 1
Echinococcus granulosus aldo keto reductase 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0036 0.3367 0.8029
Brugia malayi initiation factor 2-associated protein. 0.005 0.8682 0.773
Treponema pallidum methionine aminopeptidase (map) 0.0036 0.3367 0.5
Echinococcus multilocularis aldo keto reductase 0.0038 0.4193 0.4193
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0.4193 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0036 0.3367 0.3367
Leishmania major methionine aminopeptidase 2, putative 0.005 0.8682 0.773
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0054 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.005 0.8682 0.8682
Plasmodium vivax methionine aminopeptidase 2, putative 0.005 0.8682 0.8012
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.8682 1
Echinococcus granulosus aldo keto reductase 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase 0.0038 0.4193 0.4193
Toxoplasma gondii methionine aminopeptidase 2, putative 0.005 0.8682 0.8012
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0036 0.3367 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0.4193 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.005 0.8682 0.773
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0054 1 1
Toxoplasma gondii aldose reductase, putative 0.0038 0.4193 0.1246
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Plasmodium falciparum methionine aminopeptidase 2 0.005 0.8682 0.8012
Echinococcus multilocularis aldo keto reductase 0.0038 0.4193 0.4193
Entamoeba histolytica methionine aminopeptidase, putative 0.005 0.8682 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0054 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.8682 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Schistosoma mansoni aldo-keto reductase 0.0038 0.4193 0.1555
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.005 0.8682 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0054 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0054 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.8682 1
Echinococcus multilocularis aldo keto reductase 0.0038 0.4193 0.4193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0054 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Chlamydia trachomatis methionine aminopeptidase 0.0036 0.3367 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0054 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0036 0.3367 0.8029
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0054 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Trypanosoma brucei methionine aminopeptidase, putative 0.0054 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Mycobacterium ulcerans oxidoreductase 0.0038 0.4193 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.005 0.8682 0.773
Schistosoma mansoni pol-related 0.0038 0.4193 0.1555
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0038 0.4193 0.4193
Loa Loa (eye worm) methionine aminopeptidase type I 0.0054 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.005 0.8682 0.773
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Echinococcus granulosus hypothetical protein 0.0038 0.4193 0.4193
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.005 0.8682 0.773
Echinococcus granulosus methionyl aminopeptidase 2 0.005 0.8682 0.8682
Schistosoma mansoni aldo-keto reductase 0.0038 0.4193 0.1555
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0038 0.4193 0.4193
Giardia lamblia Methionine aminopeptidase 0.005 0.8682 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.005 0.8682 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 980 uM Inhibitory concentration of the compound against aldose reductase obtained from rat lens ChEMBL. 2491890

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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