Detailed information for compound 726949

Basic information

Technical information
  • TDR Targets ID: 726949
  • Name: 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy )acetyl]amino]phenyl]benzamide
  • MW: 440.876 | Formula: C23H21ClN2O5
  • H donors: 2 H acceptors: 2 LogP: 4.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1NC(=O)c1ccccc1Cl)NC(=O)COc1ccc(cc1)OC
  • InChi: 1S/C23H21ClN2O5/c1-29-16-8-10-17(11-9-16)31-14-22(27)25-15-7-12-20(21(13-15)30-2)26-23(28)18-5-3-4-6-19(18)24/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
  • InChiKey: BITIVOJBBLYXSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-[2-methoxy-4-[[2-(4-methoxyphenoxy)-1-oxoethyl]amino]phenyl]benzamide
  • 2-chloro-N-[2-methoxy-4-[2-(4-methoxyphenoxy)ethanoylamino]phenyl]benzamide
  • CBKinase1_024304
  • CBKinase1_011904

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0268 1 1
Schistosoma mansoni tar DNA-binding protein 0.0202 0.6995 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.2712 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0052 0.0148 0.0211
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.8462 0.5
Schistosoma mansoni tar DNA-binding protein 0.0202 0.6995 1
Schistosoma mansoni hypothetical protein 0.0052 0.0148 0.0211
Echinococcus multilocularis tar DNA binding protein 0.0202 0.6995 0.6995
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.2879 0.2773
Schistosoma mansoni hypothetical protein 0.0052 0.0148 0.0211
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.391 0.3819
Echinococcus granulosus tar DNA binding protein 0.0202 0.6995 0.6995
Loa Loa (eye worm) hypothetical protein 0.0112 0.2879 0.2773
Loa Loa (eye worm) hypothetical protein 0.0108 0.2712 0.2603
Echinococcus granulosus GPCR family 2 0.0052 0.0148 0.0148
Schistosoma mansoni tar DNA-binding protein 0.0202 0.6995 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0164 0.5233 0.5162
Brugia malayi RNA binding protein 0.0202 0.6995 0.6949
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.2712 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0108 0.2712 0.5
Schistosoma mansoni tar DNA-binding protein 0.0202 0.6995 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0148 0.0148
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0148 0.0148
Brugia malayi TAR-binding protein 0.0202 0.6995 0.6949
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0148 0.0148
Echinococcus multilocularis GPCR, family 2 0.0052 0.0148 0.0148
Trypanosoma brucei PAB1-binding protein , putative 0.0108 0.2712 0.5
Onchocerca volvulus 0.0055 0.0284 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.2712 0.5
Leishmania major hypothetical protein, conserved 0.0108 0.2712 0.5
Schistosoma mansoni hypothetical protein 0.0055 0.0284 0.0406
Loa Loa (eye worm) RNA binding protein 0.0202 0.6995 0.6949
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0164 0.5233 0.5162
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.6995 0.6949
Brugia malayi hypothetical protein 0.0108 0.2712 0.2603
Brugia malayi Calcitonin receptor-like protein seb-1 0.0164 0.5233 0.5162
Brugia malayi MH2 domain containing protein 0.0134 0.391 0.3819
Schistosoma mansoni hypothetical protein 0.0112 0.2879 0.4117
Echinococcus multilocularis survival motor neuron protein 1 0.0268 1 1
Brugia malayi hypothetical protein 0.007 0.0969 0.0834
Schistosoma mansoni tar DNA-binding protein 0.0202 0.6995 1
Echinococcus granulosus survival motor neuron protein 1 0.0268 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0108 0.2712 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.5233 0.5162
Schistosoma mansoni survival motor neuron protein 0.0055 0.0284 0.0406
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.391 0.3819
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0284 0.0138
Schistosoma mansoni hypothetical protein 0.0052 0.0148 0.0211
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.2712 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.6995 0.6949
Loa Loa (eye worm) TAR-binding protein 0.0202 0.6995 0.6949

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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