Detailed information for compound 1319145

Basic information

Technical information
  • TDR Targets ID: 1319145
  • Name: T5269526
  • MW: 432.513 | Formula: C20H20N2O5S2
  • H donors: 1 H acceptors: 3 LogP: 3.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CN(S(=O)(=O)c1cccs1)c1ccccc1OC
  • InChi: 1S/C20H20N2O5S2/c1-26-16-8-5-7-15(13-16)21-19(23)14-22(17-9-3-4-10-18(17)27-2)29(24,25)20-11-6-12-28-20/h3-13H,14H2,1-2H3,(H,21,23)
  • InChiKey: YECKBYOABQDXET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02627854

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 0.004 0.0569 0.0535
Loa Loa (eye worm) hypothetical protein 0.0337 0.9747 0.9746
Loa Loa (eye worm) hypothetical protein 0.0068 0.144 0.1409
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0101 0.0103
Schistosoma mansoni hypothetical protein 0.0117 0.2939 0.2997
Brugia malayi Ets-domain containing protein 0.008 0.1798 0.1751
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0315 0.505
Brugia malayi beta-lactamase family protein 0.004 0.0569 0.0516
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0225 0.6286 0.641
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.089 0.0908
Plasmodium vivax importin-beta 2, putative 0.0032 0.0315 0.505
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.4608 0.4577
Plasmodium vivax hypothetical protein, conserved 0.004 0.0569 1
Echinococcus granulosus protein quaking 0.0029 0.0236 0.0241
Brugia malayi beta-lactamase 0.004 0.0569 0.0516
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0569 1
Schistosoma mansoni hypothetical protein 0.0187 0.5099 0.52
Loa Loa (eye worm) hypothetical protein 0.0045 0.072 0.0686
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.4608 0.4588
Plasmodium falciparum importin beta, putative 0.0032 0.0315 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0569 0.058
Leishmania major hypothetical protein, conserved 0.004 0.0569 1
Echinococcus multilocularis GA binding protein alpha chain 0.008 0.1798 0.1833
Entamoeba histolytica hypothetical protein 0.0026 0.0129 0.0352
Echinococcus granulosus expressed protein 0.0037 0.047 0.048
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.028
Brugia malayi Temporarily assigned gene name protein 44 0.0029 0.0237 0.0182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.089 0.0908
Brugia malayi Importin beta-1 subunit 0.0032 0.0315 0.026
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0315 0.505
Onchocerca volvulus 0.0337 0.9747 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0444 0.7558
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0569 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0444 0.1857
Loa Loa (eye worm) tumor suppressor 0.0345 1 1
Schistosoma mansoni ran 0.0023 0.0056 0.0057
Schistosoma mansoni hypothetical protein 0.0054 0.1003 0.1022
Echinococcus multilocularis snurportin 1 0.0339 0.9806 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0339 0.9806 0.9805
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.1003 0.097
Brugia malayi hypothetical protein 0.0029 0.0237 0.0182
Loa Loa (eye worm) hypothetical protein 0.0078 0.174 0.171
Loa Loa (eye worm) hypothetical protein 0.0042 0.0639 0.0606
Schistosoma mansoni rotamase 0.0037 0.047 0.048
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0056 0.0057
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0569 0.0535
Echinococcus granulosus importin subunit beta 1 0.0032 0.0315 0.0321
Schistosoma mansoni gabp alpha 0.008 0.1798 0.1833
Brugia malayi beta-lactamase family protein 0.004 0.0569 0.0516
Schistosoma mansoni hypothetical protein 0.0029 0.0236 0.0241
Echinococcus multilocularis geminin 0.0187 0.5099 0.52
Echinococcus multilocularis GPCR, family 2 0.0054 0.1003 0.1022
Loa Loa (eye worm) hypothetical protein 0.004 0.0569 0.0535
Schistosoma mansoni ets-related 0.0242 0.6813 0.6948
Brugia malayi hypothetical protein 0.0337 0.9747 0.9745
Echinococcus granulosus GPCR family 2 0.0054 0.1003 0.1022
Entamoeba histolytica hypothetical protein 0.004 0.0558 0.2404
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0129 0.1433
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0091 0.2144 1
Schistosoma mansoni hypothetical protein 0.0029 0.0236 0.0241
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0569 0.0516
Schistosoma mansoni hypothetical protein 0.0054 0.1003 0.1022
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0569 0.058
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0569 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.2939 0.2914
Schistosoma mansoni bromodomain containing protein 0.007 0.1487 0.1516
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.2939 0.2899
Echinococcus multilocularis protein quaking 0.0029 0.0236 0.0241
Brugia malayi Bromodomain containing protein 0.0042 0.0637 0.0584
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0569 1
Schistosoma mansoni importin beta-1 0.0032 0.0315 0.0321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.089 0.0908
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0129 0.1433
Schistosoma mansoni hypothetical protein 0.0187 0.5099 0.52
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0129 0.1433
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0556 0.0567
Loa Loa (eye worm) hypothetical protein 0.0047 0.0785 0.0752
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0558 0.0569
Brugia malayi Fli-1 protein 0.0242 0.6813 0.6796
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0101 0.0103
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0569 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.047 0.808
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0315 0.0321
Mycobacterium leprae conserved hypothetical protein 0.004 0.0569 0.5
Trichomonas vaginalis rotamase, putative 0.0036 0.0444 0.7558
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0569 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.089 0.0839
Mycobacterium ulcerans lipase LipD 0.004 0.0569 0.5
Schistosoma mansoni ran 0.0023 0.0056 0.0057
Schistosoma mansoni hypothetical protein 0.0023 0.0036 0.0037
Mycobacterium leprae Probable lipase LipE 0.004 0.0569 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0225 0.6286 0.641
Brugia malayi hypothetical protein 0.004 0.0558 0.0505
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0056 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0569 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.089 0.0908
Schistosoma mansoni hypothetical protein 0.0054 0.1003 0.1022
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0315 0.505
Loa Loa (eye worm) fli-1 protein 0.0242 0.6813 0.6802
Schistosoma mansoni hypothetical protein 0.0054 0.1003 0.1022
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0558 0.0569
Loa Loa (eye worm) hypothetical protein 0.004 0.0569 0.0535
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.1365 0.1392
Schistosoma mansoni hypothetical protein 0.0339 0.9806 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0569 0.0535
Entamoeba histolytica hypothetical protein 0.004 0.0558 0.2404
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.047 0.0436
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.1003 0.0952
Echinococcus multilocularis expressed protein 0.0037 0.047 0.048
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.7223 1
Brugia malayi PHD-finger family protein 0.0027 0.0181 0.0126
Loa Loa (eye worm) hypothetical protein 0.004 0.0569 0.0535
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0444 0.7558
Brugia malayi Latrophilin receptor protein 2 0.0054 0.1003 0.0952
Brugia malayi Ets-domain containing protein 0.008 0.1798 0.1751
Loa Loa (eye worm) MH2 domain-containing protein 0.0265 0.7509 0.75
Loa Loa (eye worm) hypothetical protein 0.004 0.0569 0.0535
Entamoeba histolytica hypothetical protein 0.004 0.0558 0.2404
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0569 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.047 0.0417
Mycobacterium ulcerans hypothetical protein 0.004 0.0569 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0569 0.058
Mycobacterium ulcerans beta-lactamase 0.004 0.0569 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.008 0.1798 0.1768
Echinococcus granulosus geminin 0.0187 0.5099 0.52
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0444 0.7558
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0342 0.9891 0.9891
Loa Loa (eye worm) hypothetical protein 0.004 0.0569 0.0535
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.1003 0.1022
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0101 0.0103
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0444 0.7558
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0558 0.0569
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0569 0.058
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0091 0.2144 1
Leishmania major importin beta-1 subunit, putative 0.0026 0.0129 0.1433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.089 0.0908
Entamoeba histolytica hypothetical protein 0.004 0.0558 0.2404
Trichomonas vaginalis esterase, putative 0.004 0.0569 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0129 0.1433
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0556 0.0567
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0444 0.7558
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.089 0.0857
Schistosoma mansoni hypothetical protein 0.004 0.0558 0.0569
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.089 0.0908
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.1365 0.1392
Echinococcus granulosus hypothetical protein 0.0029 0.0236 0.0241
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.1003 0.1022
Loa Loa (eye worm) transcription factor SMAD2 0.0265 0.7509 0.75
Brugia malayi RNA, U transporter 1 0.009 0.2124 0.2079
Echinococcus granulosus GA binding protein alpha chain 0.008 0.1798 0.1833
Loa Loa (eye worm) hypothetical protein 0.0054 0.1003 0.097
Loa Loa (eye worm) hypothetical protein 0.0342 0.9891 0.9891
Brugia malayi Bromodomain containing protein 0.0083 0.1885 0.184
Brugia malayi MH2 domain containing protein 0.0265 0.7509 0.7495
Loa Loa (eye worm) hypothetical protein 0.0029 0.0237 0.0201
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.089 0.0908
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0056 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0056 0.002
Toxoplasma gondii ABC1 family protein 0.004 0.0569 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.2144 0.2115
Trichomonas vaginalis rotamase, putative 0.0037 0.047 0.808
Echinococcus granulosus snurportin 1 0.0339 0.9806 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0569 1
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0569 0.5

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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No 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) 18.526 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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