Detailed information for compound 1551117

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.3 | Formula: C12H12N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccco1
  • InChi: 1S/C12H12N2O3S/c1-10-4-6-12(7-5-10)18(15,16)14-13-9-11-3-2-8-17-11/h2-9,14H,1H3
  • InChiKey: QHAQHUCZLYGDLT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088

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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0958 0.2509
Loa Loa (eye worm) TK/INSR protein kinase 0.0122 0.2651 0.6945
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0049 0.0789 0.2068
Schistosoma mansoni lipoxygenase 0.0049 0.0789 0.0789
Echinococcus granulosus tyrosine kinase 0.0065 0.1212 0.3175
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Loa Loa (eye worm) prolyl oligopeptidase 0.0018 0.0008 0.0021
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0021
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0072 0.1387 0.3635
Loa Loa (eye worm) hypothetical protein 0.0054 0.0933 0.2445
Echinococcus granulosus tyrosine protein kinase Blk 0.0065 0.1212 0.3175
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0075 0.1446 0.3774
Plasmodium vivax proteasome subunit beta type-5, putative 0.0075 0.1446 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0113
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.01 0.2091 0.5478
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0113
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0018 0.0008 0.0008
Loa Loa (eye worm) TK protein kinase 0.0065 0.1212 0.3175
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0067 0.1254 0.1351
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0072 0.1387 0.3635
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0057 0.0994 0.2605
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.01 0.2091 0.2091
Echinococcus granulosus prolyl endopeptidase 0.0168 0.3817 1
Trypanosoma cruzi prolyl endopeptidase 0.0168 0.3817 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0054 0.0923 0.2403
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0067 0.1254 0.3271
Trypanosoma cruzi oligopeptidase b 0.0067 0.1254 0.3271
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0021
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0958 0.0958
Echinococcus granulosus Dipeptidyl peptidase 9 0.0018 0.0008 0.0021
Echinococcus granulosus insulin receptor 0.0122 0.2651 0.6945
Loa Loa (eye worm) TK/EGFR protein kinase 0.0057 0.0994 0.2605
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0122 0.2651 0.6945
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0047 0.0751 0.1969
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0113
Echinococcus granulosus proteasome prosome macropain 0.0075 0.1446 0.3787
Echinococcus multilocularis acetylcholinesterase 0.0054 0.0933 0.2445
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0049 0.0789 0.2068
Leishmania major proteasome beta 5 subunit, putative 0.0075 0.1446 0.3774
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0062 0.1137 0.2978
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.01 0.2091 0.5478
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0958 0.2509
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0008 0.0054
Loa Loa (eye worm) hypothetical protein 0.0054 0.0933 0.2445
Echinococcus multilocularis prolyl endopeptidase 0.0168 0.3817 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0054 0.0923 0.2419
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0168 0.3817 0.3817
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0065 0.1212 0.3175
Plasmodium falciparum peptidase, putative 0.0018 0.0008 0.0054
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0113
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0043 0.0113
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0958 0.2509
Schistosoma mansoni tyrosine kinase 0.0122 0.2651 0.2651
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Echinococcus granulosus acylamino acid releasing enzyme 0.0018 0.0008 0.0021
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0054 0.0933 0.0933
Echinococcus granulosus acetylcholinesterase 0.0054 0.0933 0.2445
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0018 0.0008 0.0008
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0075 0.1446 0.3774
Echinococcus granulosus epidermal growth factor receptor 0.0057 0.0994 0.2605
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Brugia malayi Furin-like cysteine rich region family protein 0.0057 0.0994 0.2605
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0088 0.1783 0.4671
Echinococcus granulosus tyrosine protein kinase Src64B 0.0072 0.1387 0.3635
Schistosoma mansoni tyrosine kinase 0.0072 0.1387 0.1387
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0122 0.2651 0.6945
Brugia malayi protein-tyrosine kinase 0.0065 0.1212 0.3175
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0075 0.1446 0.6902
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0958 0.2509
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0054 0.0923 0.0923
Echinococcus multilocularis tyrosine protein kinase HCK 0.0058 0.1032 0.2703
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0088 0.1783 0.4671
Leishmania major oligopeptidase b 0.0067 0.1254 0.3271
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.01 0.2091 0.5478
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0054 0.0923 0.2419
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0072 0.1387 0.3635
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0088 0.1783 0.4671
Echinococcus multilocularis acylamino acid releasing enzyme 0.0018 0.0008 0.0021
Echinococcus multilocularis tyrosine protein kinase Blk 0.0065 0.1212 0.3175
Brugia malayi Proteasome A-type and B-type family protein 0.0075 0.1446 0.3787
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0075 0.1446 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0072 0.1387 0.3635
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1083 0.2837
Echinococcus multilocularis proteasome (prosome, macropain) 0.0075 0.1446 0.3787
Brugia malayi Protein kinase domain containing protein 0.0069 0.1293 0.3388
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1083 0.2837
Echinococcus granulosus tyrosine protein kinase Lyn 0.0072 0.1387 0.3635
Trypanosoma cruzi oligopeptidase b 0.0067 0.1254 0.3271
Echinococcus granulosus tyrosine protein kinase HCK 0.0058 0.1032 0.2703
Schistosoma mansoni tyrosine kinase 0.0054 0.0919 0.0919
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0075 0.1446 0.2134
Trypanosoma brucei oligopeptidase b 0.0067 0.1254 0.3271
Mycobacterium ulcerans proteasome PrcB 0.0075 0.1446 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0067 0.1254 0.633
Brugia malayi Protein kinase domain containing protein 0.0122 0.2651 0.6945
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0018 0.0008 0.0021
Echinococcus granulosus carboxylesterase 5A 0.0054 0.0933 0.2445
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0075 0.1446 0.3774
Loa Loa (eye worm) carboxylesterase 0.0054 0.0933 0.2445
Echinococcus multilocularis epidermal growth factor receptor 0.0057 0.0994 0.2605
Brugia malayi SRC-1 0.0072 0.1387 0.3635
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Schistosoma mansoni tyrosine kinase 0.0057 0.0994 0.0994
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0168 0.3817 0.3817
Echinococcus multilocularis epidermal growth factor receptor 0.0057 0.0994 0.2605
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0067 0.1254 0.3271
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0072 0.1387 0.3635
Loa Loa (eye worm) hypothetical protein 0.006 0.1083 0.2837
Brugia malayi Cytochrome P450 family protein 0.0043 0.0646 0.1693
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0088 0.1783 0.4671
Trypanosoma brucei prolyl endopeptidase 0.0168 0.3817 1
Brugia malayi prolyl oligopeptidase family protein 0.0018 0.0008 0.0021
Loa Loa (eye worm) SRC-1 0.0072 0.1387 0.3635
Schistosoma mansoni tyrosine kinase 0.0054 0.0919 0.0919
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0646 0.1693
Loa Loa (eye worm) acetylcholinesterase 1 0.0054 0.0933 0.2445
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0072 0.1387 0.3635
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0075 0.1446 0.1446
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.01 0.2091 0.5469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0958 0.0958
Brugia malayi prolyl oligopeptidase family protein 0.0168 0.3817 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0018 0.0008 0.0021
Entamoeba histolytica protein kinase, putative 0.0058 0.1032 0.7121
Brugia malayi prolyl oligopeptidase family protein 0.0018 0.0008 0.0021
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0043 0.0113
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0072 0.1387 0.3635
Echinococcus granulosus GPCR family 2 0.0019 0.0043 0.0113
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0168 0.3817 1
Echinococcus granulosus acetylcholinesterase 0.0054 0.0933 0.2445
Loa Loa (eye worm) hypothetical protein 0.0168 0.3817 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1083 0.2837
Loa Loa (eye worm) hypothetical protein 0.0041 0.0602 0.1576
Echinococcus multilocularis insulin receptor 0.0122 0.2651 0.6945
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0043 0.0113
Loa Loa (eye worm) hypothetical protein 0.01 0.2091 0.5478
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Brugia malayi Carboxylesterase family protein 0.0054 0.0933 0.2445
Plasmodium falciparum proteasome subunit beta type-5 0.0075 0.1446 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0072 0.1387 0.3635
Schistosoma mansoni tyrosine kinase 0.0057 0.0994 0.0994
Echinococcus multilocularis GPCR, family 2 0.0019 0.0043 0.0113
Onchocerca volvulus Prolyl endopeptidase homolog 0.0168 0.3817 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0065 0.1212 0.3175
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.01 0.2091 0.5478
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0958 0.2509
Brugia malayi Carboxylesterase family protein 0.0054 0.0933 0.2445
Loa Loa (eye worm) TK protein kinase 0.0058 0.1032 0.2703
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0072 0.1387 0.3635
Loa Loa (eye worm) hypothetical protein 0.0066 0.1218 0.3191
Mycobacterium tuberculosis Probable peptidase 0.0067 0.1254 0.1351
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.1387 0.3635
Echinococcus granulosus tyrosine protein kinase Src42A 0.0062 0.1137 0.2978
Loa Loa (eye worm) prolyl oligopeptidase 0.0018 0.0008 0.0021
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0075 0.1446 1
Echinococcus multilocularis acetylcholinesterase 0.0054 0.0933 0.2445
Toxoplasma gondii prolyl endopeptidase 0.0168 0.3817 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0602 0.1576
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0075 0.1446 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0075 0.1446 0.3774
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.01 0.2091 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0067 0.1254 0.3271
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0018 0.0008 0.0021
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0151 0.3371 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.1212 0.3175
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0018 0.0008 0.0021
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0958 0.0958
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0018 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0041 0.0602 0.0602
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0018 0.0008 0.0008
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0075 0.1446 0.3787
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0067 0.1254 0.3271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0958 0.2509
Echinococcus multilocularis carboxylesterase 5A 0.0054 0.0933 0.2445
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0067 0.1254 0.3271
Schistosoma mansoni tyrosine kinase 0.0057 0.0994 0.0994
Schistosoma mansoni tyrosine kinase 0.0054 0.0919 0.0919
Schistosoma mansoni tyrosine kinase 0.0122 0.2651 0.2651
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0923 0.2419
Brugia malayi prolyl oligopeptidase family protein 0.0018 0.0008 0.0021
Schistosoma mansoni tyrosine kinase 0.0072 0.1387 0.1387
Brugia malayi prolyl oligopeptidase family protein 0.0018 0.0008 0.0021
Echinococcus granulosus epidermal growth factor receptor 0.0057 0.0994 0.2605

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 17.7828 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
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.