Detailed information for compound 1609446

Basic information

Technical information
  • TDR Targets ID: 1609446
  • Name: (2R)-2-[[4-(benzoylamino)phenyl]sulfonylamino ]propanoic acid
  • MW: 348.374 | Formula: C16H16N2O5S
  • H donors: 3 H acceptors: 5 LogP: 1.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1)C
  • InChi: 1S/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
  • InChiKey: XFZWVVHQYZGKPH-LLVKDONJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-[[4-[(oxo-phenylmethyl)amino]phenyl]sulfonylamino]propanoic acid
  • (2R)-2-[[4-(benzoylamino)phenyl]sulfonylamino]propionic acid
  • (2R)-2-[[4-(phenylcarbonylamino)phenyl]sulfonylamino]propanoic acid
  • NSC627215
  • NCI60_008642

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
Schistosoma mansoni tyrosine kinase 0.0437 0.0057 0.0152
Loa Loa (eye worm) TK/INSR protein kinase 0.0871 0.0361 0.0348
Schistosoma mansoni hypothetical protein 0.0375 0.0013 0.0035
Loa Loa (eye worm) hypothetical protein 0.568 0.3732 0.3723
Echinococcus granulosus epidermal growth factor receptor 0.0437 0.0057 0.0044
Schistosoma mansoni hypothetical protein 0.0375 0.0013 0.0035
Onchocerca volvulus 0.0375 0.0013 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0375 0.0013 0.5
Echinococcus multilocularis transfer RNA-Thr 1.4624 1 1
Loa Loa (eye worm) hypothetical protein 1.4543 0.9943 0.9943
Echinococcus granulosus epidermal growth factor receptor 0.0437 0.0057 0.0044
Plasmodium vivax hypothetical protein, conserved 0.0375 0.0013 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0437 0.0057 0.0044
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0871 0.0361 0.0348
Brugia malayi Protein kinase domain containing protein 0.0871 0.0361 0.0348
Echinococcus multilocularis epidermal growth factor receptor 0.0437 0.0057 0.0044
Echinococcus multilocularis protein KINase family member (kin 25) 0.568 0.3732 0.3723
Echinococcus granulosus insulin receptor 0.0871 0.0361 0.0348
Brugia malayi Furin-like cysteine rich region family protein 0.0437 0.0057 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0375 0.0013 0.5
Schistosoma mansoni tyrosine kinase 0.0871 0.0361 0.0968
Brugia malayi Protein kinase domain containing protein 0.0515 0.0112 0.0099
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0375 0.0013 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.568 0.3732 0.3723
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0375 0.0013 0.5
Schistosoma mansoni tyrosine kinase 0.0437 0.0057 0.0152
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0375 0.0013 0.5
Echinococcus granulosus activated cdc42 kinase 1 1.4624 1 1
Echinococcus multilocularis insulin receptor 0.0871 0.0361 0.0348
Loa Loa (eye worm) TK/EGFR protein kinase 0.0437 0.0057 0.0044
Echinococcus multilocularis activated cdc42 kinase 1 1.4624 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0437 0.0057 0.0044
Schistosoma mansoni tyrosine kinase 0.0437 0.0057 0.0152
Schistosoma mansoni tyrosine kinase 0.0871 0.0361 0.0968
Loa Loa (eye worm) hypothetical protein 0.5599 0.3675 0.3666
Loa Loa (eye worm) hypothetical protein 0.5599 0.3675 0.3666
Loa Loa (eye worm) hypothetical protein 1.4624 1 1
Echinococcus granulosus activated cdc42 kinase 1 1.4624 1 1
Schistosoma mansoni hypothetical protein 0.0375 0.0013 0.0035
Loa Loa (eye worm) hypothetical protein 0.0434 0.0055 0.0042
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0871 0.0361 0.0348
Schistosoma mansoni brg-1 associated factor 0.0375 0.0013 0.0035
Schistosoma mansoni tyrosine kinase 0.568 0.3732 1
Chlamydia trachomatis SWIB complex protein 0.0375 0.0013 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0375 0.0013 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0375 0.0013 0.5

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 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 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 HL-60(TB) Leukemia 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
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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 MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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.

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