Detailed information for compound 729115

Basic information

Technical information
  • TDR Targets ID: 729115
  • Name: 2-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzoi c acid
  • MW: 321.327 | Formula: C19H15NO4
  • H donors: 2 H acceptors: 3 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1c1ccccc1C(=O)O)NCc1ccco1
  • InChi: 1S/C19H15NO4/c21-18(20-12-13-6-5-11-24-13)16-9-3-1-7-14(16)15-8-2-4-10-17(15)19(22)23/h1-11H,12H2,(H,20,21)(H,22,23)
  • InChiKey: MQTXHEAXLCFIIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(2-furylmethylcarbamoyl)phenyl]benzoic acid
  • 2-[2-[(2-furylmethylamino)-oxomethyl]phenyl]benzoic acid
  • STK259789
  • CBKinase1_019118
  • CBKinase1_006718
  • 2'-{[(2-furylmethyl)amino]carbonyl}-2-biphenylcarboxylic acid
  • MLS000064289
  • SMR000076387

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
Onchocerca volvulus 0.0231 0.4942 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.002 0.0018 0.0025
Schistosoma mansoni hypothetical protein 0.025 0.5395 0.92
Brugia malayi beta-lactamase family protein 0.007 0.1184 0.2763
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0018 0.0025
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0228 0.0317
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0203 0.0282
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.1184 0.1184
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0228 0.0389
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.1184 0.1184
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0018 0.0031
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0018 0.0025
Brugia malayi Pre-SET motif family protein 0.0029 0.0228 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0018 0.0042
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0018 0.0042
Trypanosoma brucei hypothetical protein, conserved 0.007 0.1184 1
Onchocerca volvulus 0.007 0.1184 0.2369
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1184 0.2397
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0018 0.0025
Toxoplasma gondii ABC1 family protein 0.007 0.1184 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0018 0.0031
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.1184 0.1184
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0018 0.0025
Echinococcus multilocularis tumor protein p63 0.0328 0.7207 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0018 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0018 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1184 0.2397
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0018 0.0042
Mycobacterium ulcerans beta-lactamase 0.007 0.1184 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1184 0.2397
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0018 0.0031
Loa Loa (eye worm) beta-lactamase 0.007 0.1184 0.2763
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0228 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0018 0.0042
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4287 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0018 0.0042
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.1184 0.1184
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.1184 0.1184
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.1184 0.2763
Onchocerca volvulus 0.0048 0.067 0.1323
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0018 0.0042
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Onchocerca volvulus 0.0029 0.0228 0.0427
Leishmania major hypothetical protein, conserved 0.007 0.1184 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0228 0.0389
Brugia malayi steroid hormone receptor 0.002 0.0018 0.0042
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0018 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1184 0.2397
Onchocerca volvulus 0.007 0.1184 0.2369
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0018 0.0042
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.1184 0.1643
Trichomonas vaginalis esterase, putative 0.007 0.1184 0.2397
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0018 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0018 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1184 1
Schistosoma mansoni thyroid hormone receptor 0.027 0.5864 1
Mycobacterium leprae Probable lipase LipE 0.007 0.1184 0.5
Schistosoma mansoni nuclear hormone receptor 0.002 0.0018 0.0031
Brugia malayi nuclear receptor NHR-88 0.002 0.0018 0.0042
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0018 0.0031
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1184 0.2397
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0018 0.0042
Mycobacterium tuberculosis Conserved protein 0.007 0.1184 0.1184
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0018 0.0031
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1184 0.202
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0228 0.0389
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0018 0.0042
Mycobacterium tuberculosis Probable hydrolase 0.007 0.1184 0.1184
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0228 0.0317
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0018 0.0025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0018 0.0025
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0018 0.0025
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0018 0.0025
Plasmodium vivax hypothetical protein, conserved 0.007 0.1184 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0018 0.0042
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0018 0.0025
Brugia malayi nuclear hormone receptor 0.002 0.0018 0.0042
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0018 0.0025
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0018 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0018 0.0025
Brugia malayi Pre-SET motif family protein 0.0203 0.4287 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0228 0.0389
Loa Loa (eye worm) hypothetical protein 0.0048 0.067 0.1562
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0018 0.0042
Mycobacterium ulcerans lipase LipD 0.007 0.1184 1
Brugia malayi beta-lactamase 0.007 0.1184 0.2763
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0018 0.0042
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0018 0.0031
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.1184 0.1643
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0018 0.0042
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1184 0.202
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0018 0.0042
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0018 0.0031
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0018 0.0031
Echinococcus granulosus tumor protein p63 0.0328 0.7207 1
Mycobacterium ulcerans hypothetical protein 0.007 0.1184 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0018 0.0025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0018 0.0025
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0018 0.0042
Mycobacterium tuberculosis Conserved protein 0.007 0.1184 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0018 0.0042
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0018 0.0031
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Loa Loa (eye worm) hypothetical protein 0.002 0.0018 0.0042
Mycobacterium leprae conserved hypothetical protein 0.007 0.1184 0.5
Brugia malayi beta-lactamase family protein 0.007 0.1184 0.2763
Schistosoma mansoni thyroid hormone receptor 0.027 0.5864 1
Onchocerca volvulus 0.007 0.1184 0.2369
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0018 0.0042
Brugia malayi ecdysteroid receptor 0.002 0.0018 0.0042
Schistosoma mansoni coup transcription factor 0.002 0.0018 0.0031
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1184 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0228 0.0532
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.1184 0.2763
Mycobacterium tuberculosis Conserved protein 0.007 0.1184 0.1184
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.067 0.1142
Loa Loa (eye worm) hypothetical protein 0.007 0.1184 0.2763
Trichomonas vaginalis set domain proteins, putative 0.0231 0.4942 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.025 0.5395 0.7485
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0018 0.0042
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0018 0.0042
Echinococcus multilocularis thyroid hormone receptor alpha 0.027 0.5864 0.8136
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.025 0.5395 0.7485
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.1184 0.1184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0018 0.0042
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.1184 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0018 0.0025
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.1184 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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