Detailed information for compound 1537170

Basic information

Technical information
  • TDR Targets ID: 1537170
  • Name: T5551833
  • MW: 498.037 | Formula: C26H28ClN3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(ccc1Cl)S(=O)(=O)N(c1ccccc1)C)NCc1ccccc1CN1CCCC1
  • InChi: 1S/C26H28ClN3O3S/c1-29(22-11-3-2-4-12-22)34(32,33)23-13-14-25(27)24(17-23)26(31)28-18-20-9-5-6-10-21(20)19-30-15-7-8-16-30/h2-6,9-14,17H,7-8,15-16,18-19H2,1H3,(H,28,31)
  • InChiKey: ZRXHRDOEJOVGHM-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
Loa Loa (eye worm) flavodoxin family protein 0.03 0.3483 0.3483
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0116 0.1012 0.0391
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.1156 0.1156
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.03 0.3483 0.3033
Chlamydia trachomatis sulfite reductase 0.0485 0.5963 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0116 0.1012 0.1012
Brugia malayi FAD binding domain containing protein 0.0785 1 1
Schistosoma mansoni amine GPCR 0.0419 0.5086 0.5086
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0116 0.1012 0.0391
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0116 0.1012 0.1012
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0785 1 1
Entamoeba histolytica type A flavoprotein, putative 0.03 0.3483 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0785 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.03 0.3483 0.2832
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0785 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0785 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0785 1 1
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.03 0.3483 0.3033
Mycobacterium tuberculosis Probable monooxygenase 0.0089 0.0646 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0089 0.0646 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0089 0.0646 0.5
Brugia malayi FAD binding domain containing protein 0.0485 0.5963 0.5963
Onchocerca volvulus 0.0089 0.0646 0.5
Plasmodium vivax flavodoxin domain containing protein 0.0696 0.88 0.8717
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0089 0.0646 0.0646
Schistosoma mansoni NADPH flavin oxidoreductase 0.0395 0.4763 0.4763
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0089 0.0646 0.5
Mycobacterium tuberculosis Possible oxygenase 0.0089 0.0646 0.5
Plasmodium vivax hypothetical protein, conserved 0.03 0.3483 0.3033
Echinococcus multilocularis methionine synthase reductase 0.0485 0.5963 0.5684
Schistosoma mansoni cytochrome B5 0.0089 0.0646 0.0646
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.03 0.3483 0.3033
Schistosoma mansoni cytochrome P450 reductase 0.0785 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0485 0.5963 0.5963
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.1156 0.1156
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0089 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0519 0.642 0.642
Brugia malayi diaphorase 0.0089 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0377 0.4515 0.4515
Trichomonas vaginalis NADPH cytochrome P450, putative 0.03 0.3483 0.2832
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0785 1 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.03 0.3483 0.3033
Entamoeba histolytica type A flavoprotein, putative 0.03 0.3483 0.5
Entamoeba histolytica type A flavoprotein, putative 0.03 0.3483 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0256 0.0256
Trichomonas vaginalis NADPH cytochrome P450, putative 0.03 0.3483 0.2832
Giardia lamblia Nitric oxide synthase, inducible 0.0696 0.88 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0785 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0256 0.0256
Entamoeba histolytica type A flavoprotein, putative 0.03 0.3483 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0785 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0785 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0377 0.4515 0.4515
Toxoplasma gondii flavodoxin domain-containing protein 0.0389 0.4683 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0785 1 1
Leishmania major hypothetical protein, conserved 0.03 0.3483 0.3033
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0377 0.4515 0.4515
Toxoplasma gondii flavodoxin domain-containing protein 0.0389 0.4683 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0785 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0785 1 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.03 0.3483 0.3033
Loa Loa (eye worm) hypothetical protein 0.006 0.0256 0.0256
Loa Loa (eye worm) FAD binding domain-containing protein 0.0785 1 1
Schistosoma mansoni diflavin oxidoreductase 0.0389 0.4683 0.4683
Trypanosoma cruzi p450 reductase, putative 0.0785 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0785 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.03 0.3483 0.2832
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0256 0.0256
Echinococcus granulosus methionine synthase reductase 0.0485 0.5963 0.5684
Leishmania major cytochrome P450 reductase, putative 0.0696 0.88 0.8717
Treponema pallidum flavodoxin 0.03 0.3483 1
Loa Loa (eye worm) hypothetical protein 0.0785 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0805 0.0805
Brugia malayi flavodoxin family protein 0.03 0.3483 0.3483
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0696 0.88 0.868
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0785 1 1
Loa Loa (eye worm) diaphorase 0.0089 0.0646 0.0646
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0089 0.0646 0.0646
Entamoeba histolytica type A flavoprotein, putative 0.03 0.3483 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0785 1 1
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.03 0.3483 0.3033
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0785 1 1
Loa Loa (eye worm) hypothetical protein 0.0519 0.642 0.642
Giardia lamblia Hypothetical protein 0.0696 0.88 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0485 0.5963 0.5963
Leishmania major p450 reductase, putative 0.0785 1 1
Loa Loa (eye worm) hypothetical protein 0.0377 0.4515 0.4515

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 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) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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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