Detailed information for compound 1384091

Basic information

Technical information
  • TDR Targets ID: 1384091
  • Name: 2-[[3-[(4-bromophenyl)sulfonylamino]benzoyl]a mino]benzoic acid
  • MW: 475.313 | Formula: C20H15BrN2O5S
  • H donors: 3 H acceptors: 5 LogP: 4.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1ccccc1C(=O)O
  • InChi: 1S/C20H15BrN2O5S/c21-14-8-10-16(11-9-14)29(27,28)23-15-5-3-4-13(12-15)19(24)22-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26)
  • InChiKey: BLZJEJVSFMTFRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[3-[(4-bromophenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid
  • 2-[[3-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid
  • 2-[(3-{[(4-bromophenyl)sulfonyl]amino}benzoyl)amino]benzoic acid
  • MLS001008047
  • SMR000498291

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major farnesyl pyrophosphate synthase 0.0778 0.5 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0778 0.5 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0778 0.5 0.5
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0778 0.5 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.0778 0.5 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0778 0.5 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0778 0.5 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0778 0.5 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0778 0.5 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0778 0.5 0.5
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0778 0.5 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0778 0.5 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0778 0.5 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0778 0.5 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0778 0.5 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0778 0.5 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0778 0.5 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0778 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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