Detailed information for compound 1587766

Basic information

Technical information
  • TDR Targets ID: 1587766
  • Name: T5563875
  • MW: 408.278 | Formula: C19H19Cl2N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.79 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)NC(=O)CN(C(=O)CCNC(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C19H19Cl2N3O3/c1-24(12-17(25)23-16-8-6-15(21)7-9-16)18(26)10-11-22-19(27)13-2-4-14(20)5-3-13/h2-9H,10-12H2,1H3,(H,22,27)(H,23,25)
  • InChiKey: QWVFQNCMDQVGBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Toxoplasma gondii ABC1 family protein 0.0036 0.003 0.0064
Schistosoma mansoni hypothetical protein 0.0171 0.0587 0.0582
Mycobacterium ulcerans beta-lactamase 0.0036 0.003 0.0022
Schistosoma mansoni hypothetical protein 0.0036 0.003 0.0025
Mycobacterium leprae PROBABLE TRANSFERASE 0.0068 0.0163 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0163 0.0215
Loa Loa (eye worm) carbonic anhydrase 3 0.2442 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0917 0.3679 0.9284
Entamoeba histolytica ankyrin, putative 0.0071 0.0174 0.0244
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0973 0.3913 0.391
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0049 0.0033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0129 0.0124
Echinococcus granulosus geminin 0.0171 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0973 0.3913 0.391
Brugia malayi beta-lactamase 0.0036 0.003 0.0025
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0071 0.0174 0.0368
Chlamydia trachomatis sulfate transporter 0.0033 0.0016 0.5
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1466 0.5953 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0973 0.3913 0.391
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.1534 0.6235 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Mycobacterium ulcerans hypothetical protein 0.0036 0.003 0.0022
Trichomonas vaginalis set domain proteins, putative 0.024 0.0873 0.1359
Mycobacterium ulcerans transferase 0.0068 0.0163 0.0237
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.003 0.0025
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2442 1 1
Entamoeba histolytica acetyltransferase, putative 0.0071 0.0174 0.0244
Trypanosoma brucei carbonic anhydrase-like protein 0.2442 1 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.003 0.0025
Brugia malayi Pre-SET motif family protein 0.0211 0.0752 0.0748
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0041 0.0049 0.0032
Schistosoma mansoni hypothetical protein 0.0973 0.3913 0.391
Echinococcus multilocularis carbonic anhydrase II 0.2442 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0985 0.396 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0973 0.3913 0.391
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0049 0.0033
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.0163 0.0215
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0973 0.3913 0.391
Mycobacterium ulcerans lipase LipD 0.0036 0.003 0.0022
Brugia malayi hypothetical protein 0.0036 0.003 0.0025
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0788 0.3144 0.7922
Echinococcus granulosus carbonic anhydrase 0.0973 0.3913 0.3913
Plasmodium falciparum carbonic anhydrase 0.0973 0.3913 1
Leishmania major carbonic anhydrase-like protein 0.2442 1 1
Echinococcus granulosus carbonic anhydrase 0.0973 0.3913 0.3913
Onchocerca volvulus 0.0207 0.0736 0.8424
Mycobacterium ulcerans carbonic anhydrase 0.1534 0.6235 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2442 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.003 0.003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.003 0.0025
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0129 0.0124
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2442 1 1
Echinococcus multilocularis carbonic anhydrase 0.0973 0.3913 0.391
Brugia malayi beta-lactamase family protein 0.0036 0.003 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.1534 0.6235 1
Leishmania major hypothetical protein, conserved 0.0041 0.0049 0.0019
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0973 0.3913 0.391
Schistosoma mansoni hypothetical protein 0.0171 0.0587 0.0582
Loa Loa (eye worm) hypothetical protein 0.2171 0.8875 0.8875
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0752 0.0748
Brugia malayi beta-lactamase family protein 0.0036 0.003 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.003 0.0014
Echinococcus granulosus dynactin 5 p25 0.0071 0.0174 0.0174
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.003 0.0025
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2442 1 1
Plasmodium vivax sulfate transporter, putative 0.0033 0.0016 0.449
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0041 0.0049 0.0048
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0033 0.0016 0.0029
Schistosoma mansoni carbonic anhydrase-related 0.0973 0.3913 0.391
Onchocerca volvulus 0.0036 0.003 0.0289
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.003 0.0025
Brugia malayi follicle stimulating hormone receptor 0.0234 0.0851 0.0847
Echinococcus granulosus carbonic anhydrase II 0.2442 1 1
Echinococcus multilocularis carbonic anhydrase 0.0973 0.3913 0.391
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.003 0.0025
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.003 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0041 0.005 0.0045
Leishmania major carbonic anhydrase family protein, putative 0.1466 0.5953 0.5941
Loa Loa (eye worm) hypothetical protein 0.0973 0.3913 0.391
Onchocerca volvulus 0.0036 0.003 0.0289
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.003 0.003
Echinococcus multilocularis geminin 0.0171 0.0587 0.0582
Onchocerca volvulus 0.0068 0.0163 0.1825
Loa Loa (eye worm) hypothetical protein 0.006 0.0129 0.0124
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2442 1 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0049 0.0053
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.084 0.2061
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Mycobacterium leprae Probable transmembrane transport protein 0.0239 0.0869 0.1417
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.0851 0.0847
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0071 0.0174 1
Onchocerca volvulus Putative sulfate transporter 0.0207 0.0736 0.8424
Echinococcus multilocularis carbonic anhydrase 0.0973 0.3913 0.391
Entamoeba histolytica carbonic anhydrase, putative 0.1466 0.5953 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0973 0.3913 0.391
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0049 0.0033
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2442 1 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0239 0.0869 0.2135
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0071 0.0174 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.003 0.0025
Echinococcus granulosus carbonic anhydrase 0.0973 0.3913 0.3913
Mycobacterium ulcerans carbonic anhydrase 0.1466 0.5953 0.9547
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.005 0.0045
Loa Loa (eye worm) hypothetical protein 0.0041 0.005 0.0045
Schistosoma mansoni carbonic anhydrase 0.0973 0.3913 0.391
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0025
Onchocerca volvulus 0.024 0.0873 1
Schistosoma mansoni carbonic anhydrase 0.1466 0.5953 0.5952
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.003 0.0022
Schistosoma mansoni carbonic anhydrase-related 0.0973 0.3913 0.391
Onchocerca volvulus 0.0036 0.003 0.0289
Schistosoma mansoni carbonic anhydrase-related 0.0973 0.3913 0.391
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.003 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.003 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0129 0.0124
Plasmodium vivax hypothetical protein, conserved 0.0036 0.003 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.003 0.0014
Toxoplasma gondii hypothetical protein 0.0973 0.3913 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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