Detailed information for compound 374858

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.361 | Formula: C16H15NO2S
  • H donors: 1 H acceptors: 3 LogP: 4.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1csc(c1c1ccc(cc1)C(C)(C)C)C(=O)O
  • InChi: 1S/C16H15NO2S/c1-16(2,3)12-6-4-10(5-7-12)13-11(8-17)9-20-14(13)15(18)19/h4-7,9H,1-3H3,(H,18,19)
  • InChiKey: LXGOZTHYUCARGI-UHFFFAOYSA-N  

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 glutamate receptor, ionotropic, AMPA 2 Starlite/ChEMBL References
Homo sapiens glutamate receptor, ionotropic, AMPA 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) glutamate receptor 1 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor subunit protein glur Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 2 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Brugia malayi Glutamate receptor 1 precursor Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus multilocularis glutamate receptor 2 Get druggable targets OG5_128645 All targets in OG5_128645
Echinococcus granulosus glutamate receptor 4 Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128645 All targets in OG5_128645

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 glutamate receptor, ionotropic, AMPA 2 883 aa 810 aa 34.0 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 glutamate receptor, ionotropic, AMPA 4 902 aa 818 aa 33.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0049 0.0722 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0049 0.0722 0.0458
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Leishmania major cysteine peptidase A (CPA) 0.0049 0.0722 0.0845
Onchocerca volvulus 0.0049 0.0722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus granulosus glutamate receptor 2 0.0152 0.5784 0.5784
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Plasmodium vivax vivapain-2 0.0049 0.0722 0.0845
Echinococcus multilocularis cathepsin b 0.0146 0.5512 0.5385
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0049 0.0722 0.1301
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.0722 0.1301
Schistosoma mansoni glutamate receptor kainate 0.0061 0.131 0.236
Echinococcus granulosus proteasome prosome macropain subunit beta 0.004 0.0277 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0049 0.0722 0.0722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Echinococcus granulosus glutamate receptor 1 0.0102 0.3345 0.3345
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Onchocerca volvulus 0.0049 0.0722 1
Echinococcus multilocularis cathepsin b 0.0146 0.5512 0.5385
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0054 0.0973 0.1754
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.555 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0146 0.5512 0.5512
Schistosoma mansoni glutamate receptor NMDA 0.0061 0.131 0.236
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Plasmodium falciparum proteasome subunit beta type-5 0.0147 0.555 1
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0072 0.1874 0.1643
Echinococcus multilocularis glutamate receptor 4 0.0102 0.3345 0.3156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Toxoplasma gondii proteasome subunit beta type, putative 0.0147 0.555 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0049 0.0722 0.0458
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Trypanosoma cruzi cruzipain precursor, putative 0.0049 0.0722 0.1301
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0147 0.555 1
Onchocerca volvulus Cathepsin L homolog 0.0049 0.0722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Giardia lamblia Cathepsin B precursor 0.0054 0.0973 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Onchocerca volvulus Cathepsin F homolog 0.0049 0.0722 1
Onchocerca volvulus 0.0048 0.0714 0.9885
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0147 0.555 0.555
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0147 0.555 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus granulosus glutamate NMDA receptor subunit 0.0061 0.131 0.131
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.004 0.0277 0.0499
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0146 0.5512 0.9933
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722
Loa Loa (eye worm) glutamate receptor 2 0.0061 0.131 0.131
Leishmania major proteasome beta 5 subunit, putative 0.0147 0.555 1
Schistosoma mansoni glutamate receptor kainate 0.0061 0.131 0.236
Echinococcus multilocularis cathepsin L cysteine protease 0.0049 0.0722 0.0458
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0072 0.1874 0.1874
Brugia malayi proteasome subunit beta type 2 0.004 0.0277 0.0277
Echinococcus granulosus cathepsin L cysteine proteinase 0.0049 0.0722 0.0722
Brugia malayi Papain family cysteine protease containing protein 0.0049 0.0722 0.0722
Schistosoma mansoni glutamate receptor AMPA 0.0061 0.131 0.236
Plasmodium vivax proteasome subunit beta type-5, putative 0.0147 0.555 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Trypanosoma cruzi cysteine peptidase, putative 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus granulosus glutamate receptor 4 0.0102 0.3345 0.3345
Schistosoma mansoni hypothetical protein 0.0048 0.0714 0.1286
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722
Entamoeba histolytica cysteine proteinase, putative 0.0049 0.0722 0.1301
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.004 0.0277 0.0499
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0049 0.0722 0.0845
Loa Loa (eye worm) proteasome subunit beta type 2 0.004 0.0277 0.0277
Trypanosoma cruzi cysteine peptidase, putative 0.0049 0.0722 0.1301
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0146 0.5512 0.9933
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0147 0.555 1
Echinococcus granulosus cathepsin b 0.0146 0.5512 0.5512
Schistosoma mansoni ATP-binding cassette transporter 0.0061 0.131 0.236
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0054 0.0973 0.1754
Loa Loa (eye worm) glutamate receptor 1 0.0163 0.632 0.632
Giardia lamblia Cathepsin B precursor 0.0054 0.0973 0.1321
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0049 0.0722 0.1301
Trypanosoma cruzi 20S proteasome subunit 0.004 0.0277 0.0499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Loa Loa (eye worm) cysteine protease 0.0049 0.0722 0.0722
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0174 0.6885 0.6796
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Mycobacterium ulcerans proteasome PrcB 0.0147 0.555 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0072 0.1874 0.1874
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.004 0.0277 0.0499
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Echinococcus multilocularis cysteine protease 0.0049 0.0722 0.0458
Echinococcus granulosus proteasome prosome macropain 0.0147 0.555 0.555
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Echinococcus granulosus cathepsin l cysteine peptidase 0.0049 0.0722 0.0722
Trypanosoma cruzi cysteine peptidase, putative 0.0049 0.0722 0.1301
Schistosoma mansoni glutamate receptor kainate 0.0061 0.131 0.236
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0072 0.1874 0.1643
Brugia malayi Glutamate receptor 1 precursor 0.0163 0.632 0.632
Onchocerca volvulus 0.0049 0.0722 1
Echinococcus multilocularis proteasome (prosome, macropain) 0.0147 0.555 0.5423
Loa Loa (eye worm) hypothetical protein 0.0049 0.0722 0.0722
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0714 0.0714
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0147 0.555 1
Echinococcus multilocularis glutamate receptor 2 0.0163 0.632 0.6216
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0174 0.6885 0.6885
Loa Loa (eye worm) hypothetical protein 0.0102 0.3345 0.3345
Entamoeba histolytica cysteine protease, putative 0.0049 0.0722 0.1301
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0049 0.0722 0.0845
Echinococcus multilocularis cathepsin L cysteine protease 0.0049 0.0722 0.0458
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0072 0.1874 0.1643
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus multilocularis survival motor neuron protein 1 0.0238 1 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0054 0.0973 0.1321
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0054 0.0973 0.1321
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0146 0.5512 0.9933
Schistosoma mansoni glutamate receptor AMPA 0.0061 0.131 0.236
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.004 0.0277 0.0499
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Loa Loa (eye worm) hypothetical protein 0.0102 0.3345 0.3345
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0147 0.555 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0049 0.0722 0.0722
Loa Loa (eye worm) hypothetical protein 0.0102 0.3345 0.3345
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0147 0.555 1
Onchocerca volvulus 0.0049 0.0722 1
Onchocerca volvulus 0.0049 0.0722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722
Onchocerca volvulus Cathepsin L homolog 0.0049 0.0722 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.004 0.0277 0.0499
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722
Loa Loa (eye worm) fibroinase 0.0049 0.0722 0.0722
Toxoplasma gondii cathepsin CPL 0.0049 0.0722 0.0845
Loa Loa (eye worm) hypothetical protein 0.0238 1 1
Loa Loa (eye worm) cathepsin B 0.0054 0.0973 0.0973
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0054 0.0973 0.1754
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.004 0.0277 0.0499
Toxoplasma gondii cathepsin B 0.0054 0.0973 0.1321
Plasmodium falciparum cysteine proteinase falcipain 3 0.0049 0.0722 0.0845
Echinococcus granulosus glutamate receptor subunit protein glur 0.0124 0.4446 0.4446
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0146 0.5512 0.9933
Brugia malayi Glutamate receptor 2 precursor 0.0163 0.632 0.632
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0061 0.131 0.1062
Echinococcus multilocularis glutamate receptor 2 0.0174 0.6885 0.6796
Echinococcus granulosus survival motor neuron protein 1 0.0238 1 1
Echinococcus granulosus cathepsin l1 0.0049 0.0722 0.0722
Schistosoma mansoni glutamate receptor NMDA 0.0072 0.1874 0.3377
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Echinococcus multilocularis cysteine protease 0.0049 0.0722 0.0458
Giardia lamblia Cathepsin B precursor 0.0054 0.0973 0.1321
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Onchocerca volvulus 0.0049 0.0722 1
Brugia malayi Proteasome A-type and B-type family protein 0.0147 0.555 0.555
Trypanosoma cruzi cysteine peptidase, putative 0.0049 0.0722 0.1301
Leishmania major cathepsin L-like protease 0.0049 0.0722 0.0845
Schistosoma mansoni cathepsin F (C01 family) 0.0049 0.0722 0.1301
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0124 0.4446 0.4288
Loa Loa (eye worm) ctsf protein 0.0049 0.0722 0.0722
Echinococcus granulosus cathepsin b 0.0146 0.5512 0.5512
Loa Loa (eye worm) hypothetical protein 0.0146 0.5512 0.5512
Schistosoma mansoni cathepsin F (C01 family) 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Schistosoma mansoni survival motor neuron protein 0.0048 0.0714 0.1286
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0049 0.0722 0.1301
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0049 0.0722 0.1301
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0072 0.1874 0.1874
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0147 0.555 1
Echinococcus multilocularis glutamate receptor 2 0.0152 0.5784 0.5664
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0147 0.555 1
Echinococcus granulosus glutamate receptor 2 0.0174 0.6885 0.6885
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0049 0.0722 0.0845
Plasmodium vivax vivapain-2 0.0049 0.0722 0.0845
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0146 0.5512 0.9933
Brugia malayi Cathepsin L-like precursor 0.0049 0.0722 0.0722

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 3000 nM Activity against human GLUR4 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR4 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR2 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR2 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR4 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR4 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR2 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964
EC50 (functional) > 3000 nM Activity against human GLUR2 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay ChEMBL. 16879964

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

1 literature reference was collected for this gene.

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