Detailed information for compound 342503

Basic information

Technical information
  • TDR Targets ID: 342503
  • Name: 4-[(2-fluorobenzoyl)carbamoylamino]-3-methoxy benzoic acid
  • MW: 332.283 | Formula: C16H13FN2O5
  • H donors: 3 H acceptors: 4 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1NC(=O)NC(=O)c1ccccc1F)C(=O)O
  • InChi: 1S/C16H13FN2O5/c1-24-13-8-9(15(21)22)6-7-12(13)18-16(23)19-14(20)10-4-2-3-5-11(10)17/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
  • InChiKey: OFNFJHDQPSWUFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-fluorobenzoyl)carbamoylamino]-3-methoxy-benzoic acid
  • 4-[[[[(2-fluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-3-methoxybenzoic acid
  • 4-[(2-fluorophenyl)carbonylcarbamoylamino]-3-methoxy-benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphorylase, glycogen, liver Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Chlamydia trachomatis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium hominis glycogen phosphorylase 1 Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium parvum glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Giardia lamblia Glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis Glycosyl transferase, family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Onchocerca volvulus Glycogen phosphorylase homolog Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Neospora caninum hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Brugia malayi carbohydrate phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Loa Loa (eye worm) glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum Glycogen phosphorylase, brain form, putative Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus Glycosyl transferase family 35 Get druggable targets OG5_126999 All targets in OG5_126999
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 glycogen phosphorylase 0.0056 0.0475 0.0489
Echinococcus multilocularis glycogen phosphorylase 0.013 0.2729 1
Echinococcus granulosus glycogen phosphorylase 0.013 0.2729 1
Echinococcus granulosus myotubularin protein 13 0.005 0.029 0.1064
Echinococcus multilocularis Glycosyl transferase, family 35 0.013 0.2729 1
Onchocerca volvulus 0.0369 1 1
Brugia malayi carbohydrate phosphorylase 0.013 0.2729 0.2811
Brugia malayi Pleckstrin Homology Domain 0.005 0.029 0.0299
Brugia malayi C1-like domain containing protein 0.036 0.971 1
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.2729 1
Onchocerca volvulus 0.0358 0.9673 0.955
Echinococcus granulosus glycogen phosphorylase 0.013 0.2729 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.036 0.971 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.032 0.8504 0.8504
Loa Loa (eye worm) CAMK/PKD protein kinase 0.036 0.971 0.971
Schistosoma mansoni protein kinase C mu 0.036 0.971 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.2729 0.5
Giardia lamblia Glycogen phosphorylase 0.013 0.2729 0.5
Schistosoma mansoni glycogen phosphorylase 0.013 0.2729 0.2811
Onchocerca volvulus 0.0319 0.8468 0.7892
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.2729 1
Loa Loa (eye worm) hypothetical protein 0.0319 0.8468 0.8468
Schistosoma mansoni glycogen phosphorylase 0.013 0.2729 0.2811
Chlamydia trachomatis glycogen phosphorylase 0.013 0.2729 0.5
Echinococcus granulosus Glycosyl transferase family 35 0.013 0.2729 1
Echinococcus multilocularis glycogen phosphorylase 0.013 0.2729 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.2729 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.029 0.029
Loa Loa (eye worm) glycogen phosphorylase 0.013 0.2729 0.2729
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0056 0.0475 0.5
Schistosoma mansoni vav2 0.005 0.029 0.0299
Echinococcus multilocularis myotubularin protein 13 0.005 0.029 0.1064
Loa Loa (eye worm) hypothetical protein 0.0319 0.8468 0.8468
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0056 0.0475 0.5
Loa Loa (eye worm) hypothetical protein 0.0358 0.9673 0.9673

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (binding) = 5.67 Logarithemic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 min at 25 degree C, pH 7.2 ChEMBL. 16190745
IC50 (binding) = 5.67 Logarithemic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 min at 25 degree C, pH 7.2 ChEMBL. 16190745
IC50 (binding) = 2150 nM Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 degree C, pH 7.2 with compound dissolved in DMSO ChEMBL. 16190745
IC50 (binding) = 2150 nM Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 degree C, pH 7.2 with compound dissolved in DMSO ChEMBL. 16190745
IC50 (functional) = 65 uM Inhibitory concentration against glucagon-induced glycogenolysis in rat primary hepatocytes upon incubation for 30 min at 37 degree C, pH 7.4 with compound dissolved in DMSO by 96-well plate assay ChEMBL. 16190745

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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