Detailed information for compound 1448571

Basic information

Technical information
  • TDR Targets ID: 1448571
  • Name: 1-cyclohexyl-3-thiophen-2-ylsulfonyl-2H-imida zo[5,4-b]quinoxaline
  • MW: 400.518 | Formula: C19H20N4O2S2
  • H donors: 0 H acceptors: 4 LogP: 4.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(N1CN(c2c1nc1ccccc1n2)C1CCCCC1)c1cccs1
  • InChi: 1S/C19H20N4O2S2/c24-27(25,17-11-6-12-26-17)23-13-22(14-7-2-1-3-8-14)18-19(23)21-16-10-5-4-9-15(16)20-18/h4-6,9-12,14H,1-3,7-8,13H2
  • InChiKey: JFZOPEPMWLNULG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-cyclohexyl-3-(2-thienylsulfonyl)-2H-imidazo[5,4-b]quinoxaline
  • ZINC02425857
  • 1-Cyclohexyl-3-(thiophene-2-sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
  • MLS000778603
  • SMR000415397

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
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 TATA binding protein associated factor 0.0116 0.0408 0.0785
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.2179 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0126 0.007
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0408 0.0785
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2466 0.2423
Loa Loa (eye worm) TATA binding protein associated factor 0.0116 0.0408 0.0408
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0116 0.0408 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0116 0.0408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0116 0.0408 0.0353
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2466 0.2453
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Loa Loa (eye worm) pyruvate kinase 0.004 0.0057 0.0057
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.1319 0.1319
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0408 0.2779
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0872 0.6457
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0126 0.007
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0126 0.0109
Trypanosoma brucei aminopeptidase, putative 0.0116 0.0408 1
Loa Loa (eye worm) aminopeptidase N 0.0116 0.0408 0.0408
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0126 0.0126
Giardia lamblia Pyruvate kinase 0.004 0.0057 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0408 0.0785
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0116 0.0408 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0116 0.0408 0.0353
Trypanosoma cruzi aminopeptidase, putative 0.0116 0.0408 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0408 0.0391
Loa Loa (eye worm) hypothetical protein 0.0116 0.0408 0.0408
Mycobacterium ulcerans aminopeptidase N PepN 0.0116 0.0408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0408 0.2779
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2466 0.2423
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0872 0.6457
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0408 0.0391
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0116 0.0408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0821 1
Brugia malayi hypothetical protein 0.0116 0.0408 0.0785
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0408 0.0391
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0116 0.0408 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0057 0.0057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0126 0.0109
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0408 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0408 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.2179 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0408 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0116 0.0408 0.0353
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0116 0.0408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Echinococcus multilocularis pyruvate kinase 0.004 0.0057 0.004
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0408 0.0391
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1319 1
Brugia malayi hypothetical protein 0.1002 0.4527 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.0408 0.0408
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.1319 0.2825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.007
Onchocerca volvulus 0.0116 0.0408 0.4593
Toxoplasma gondii aminopeptidase n, putative 0.0116 0.0408 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0116 0.0408 0.0353
Loa Loa (eye worm) pyruvate kinase 0.004 0.0057 0.0057
Toxoplasma gondii aminopeptidase N protein 0.0116 0.0408 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0408 0.0408
Trypanosoma cruzi aminopeptidase, putative 0.0116 0.0408 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0116 0.0408 1
Chlamydia trachomatis pyruvate kinase 0.004 0.0057 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.007
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0116 0.0408 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0116 0.0408 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0116 0.0408 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0116 0.0408 1
Brugia malayi hypothetical protein 0.0116 0.0408 0.0785
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0116 0.0408 1
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2466 0.2453
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0126 0.0156
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0116 0.0408 0.2779
Onchocerca volvulus 0.0116 0.0408 0.4593
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0116 0.0408 1
Echinococcus granulosus aminopeptidase N 0.0116 0.0408 0.0353
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Echinococcus multilocularis aminopeptidase N 0.0116 0.0408 0.0391
Entamoeba histolytica aminopeptidase, putative 0.0116 0.0408 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0057 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Trypanosoma brucei Aminopeptidase M1, putative 0.0116 0.0408 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.2179 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0057 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0116 0.0408 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0821 0.6051
Trypanosoma cruzi Aminopeptidase M1, putative 0.0116 0.0408 1
Brugia malayi Peptidase family M1 containing protein 0.0116 0.0408 0.0785
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0116 0.0408 0.0391
Loa Loa (eye worm) hypothetical protein 0.0116 0.0408 0.0408
Echinococcus multilocularis pyruvate kinase 0.004 0.0057 0.004
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0116 0.0408 0.0391
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0116 0.0408 0.0353
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0126 0.007
Onchocerca volvulus 0.0116 0.0408 0.4593

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 8.9125 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
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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