Detailed information for compound 1234803

Basic information

Technical information
  • TDR Targets ID: 1234803
  • Name: 2-[(2-ethylphenyl)amino]-5-oxo-N-(pyridin-2-y lmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline -8-carboxamide
  • MW: 456.52 | Formula: C24H20N6O2S
  • H donors: 2 H acceptors: 3 LogP: 3.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1Nc1nn2c(s1)nc1c(c2=O)ccc(c1)C(=O)NCc1ccccn1
  • InChi: 1S/C24H20N6O2S/c1-2-15-7-3-4-9-19(15)27-23-29-30-22(32)18-11-10-16(13-20(18)28-24(30)33-23)21(31)26-14-17-8-5-6-12-25-17/h3-13H,2,14H2,1H3,(H,26,31)(H,27,29)
  • InChiKey: VILUDSYFMLGYLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-ethylphenyl)amino]-5-oxo-N-(2-pyridylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
  • 2-[(2-ethylphenyl)amino]-5-keto-N-(2-pyridylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Herpes simplex virus (type 1 / strain 17) Alpha trans-inducing protein (VP16) Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens small ubiquitin-like modifier 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva ubiquitin, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Small ubiquitin-related modifier 2 precursor, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Plasmodium berghei small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis ubiquitin-like protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Echinococcus granulosus Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Plasmodium vivax small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans kinetochore protein Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) SMO-1 protein Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
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 NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei small ubiquitin-related modifier Get druggable targets OG5_127053 All targets in OG5_127053
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Sentrin Get druggable targets OG5_127053 All targets in OG5_127053
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Small ubiquitin modifier 2 Get druggable targets OG5_127053 All targets in OG5_127053
Brugia malayi Ubiquitin-like protein SMT3 Get druggable targets OG5_127053 All targets in OG5_127053
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127053 All targets in OG5_127053
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii small ubiquitin family modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Entamoeba histolytica ubiquitin like protein Get druggable targets OG5_127053 All targets in OG5_127053
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi small ubiquitin-related modifier, putative Get druggable targets OG5_127053 All targets in OG5_127053
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense small ubiquitin protein, putative Get druggable targets OG5_127053 All targets in OG5_127053
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis ubiquitin-like protein Get druggable targets OG5_127053 All targets in OG5_127053
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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum 6-cysteine protein small ubiquitin-like modifier 1 101 aa 92 aa 28.3 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0056 0.0185
Brugia malayi Isocitrate dehydrogenase 0.0019 0 0.0001
Trypanosoma cruzi small ubiquitin protein, putative 0.0037 0.0187 0.1891
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0 0.0002
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Echinococcus multilocularis geminin 0.0205 0.1933 0.1933
Schistosoma mansoni coup transcription factor 0.0024 0.0056 0.0289
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.099 0.3272
Giardia lamblia Kinase, PLK 0.0114 0.099 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0056 0.0185
Echinococcus granulosus Small ubiquitin modifier 2 0.0037 0.0187 0.097
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0056 0.0289
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0056 0.0289
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.099 0.3272
Leishmania major small ubiquitin protein, putative 0.0037 0.0187 0.1891
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.195
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0056 0.0289
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Echinococcus multilocularis Small ubiquitin modifier 2 0.0037 0.0187 0.0187
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.099 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0056 0.0185
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0056 0.0056
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0056 0.0289
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0377
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0056 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0056 0.0185
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0056 0.0289
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.099 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0056 0.0185
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0056 0.0289
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.099 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0 0.0002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0377 0.195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0056 0.0056
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0056 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0056 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0056 0.0185
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0056 0.0289
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0377 0.0377
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0056 0.0185
Plasmodium vivax small ubiquitin-related modifier, putative 0.0037 0.0187 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.099 1
Loa Loa (eye worm) hypothetical protein 0.0309 0.3025 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0056 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0056 0.0185
Loa Loa (eye worm) SMO-1 protein 0.0037 0.0187 0.062
Echinococcus granulosus geminin 0.0205 0.1933 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0056 0.0289
Brugia malayi ecdysteroid receptor 0.0024 0.0056 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0056 0.0185
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0056 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0056 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0056 0.0185
Toxoplasma gondii small ubiquitin family modifier, putative 0.0037 0.0187 1
Brugia malayi nuclear receptor NHR-88 0.0024 0.0056 0.0185
Trypanosoma brucei small ubiquitin-related modifier 0.0037 0.0187 0.1891
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.099 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0056 0.0056
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0056 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.023 0.0761
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.099 0.512
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0429 0.1417
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0056 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0377 0.1246
Brugia malayi nuclear hormone receptor 0.0024 0.0056 0.0185
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0056 0.0185
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0056 0.0185
Schistosoma mansoni ubiquitin-like protein sumo/smt3-related 0.0037 0.0187 0.097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0377 0.1246
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Schistosoma mansoni hypothetical protein 0.0205 0.1933 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.039 0.2521
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0429 0.1417
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0056 0.0056
Brugia malayi photoreceptor-specific nuclear receptor 0.0309 0.3025 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.099 0.512
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0056 0.0185
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0056 0.0289
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0056 0.0289
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0056 0.0289
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0056 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.195
Plasmodium falciparum small ubiquitin-related modifier 0.0037 0.0187 1
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0056 0.0289
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0056 0.0289
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0056 0.0289
Brugia malayi Ubiquitin-like protein SMT3 0.0037 0.0187 0.062
Trypanosoma cruzi small ubiquitin protein, putative 0.0037 0.0187 0.1891
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0056 0.0185
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.023 0.0761
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.099 0.099
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0056 0.0289
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0056 0.0289
Schistosoma mansoni hypothetical protein 0.0205 0.1933 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0377 0.195
Loa Loa (eye worm) hypothetical protein 0.006 0.0429 0.1417
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0056 0.0056
Schistosoma mansoni kinase 0.0058 0.0405 0.2097
Brugia malayi isocitrate dehydrogenase 0.0019 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0056 0.0289
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.039 0.2521
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0056 0.0185
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0056 0.0289
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0056 0.0185
Trypanosoma brucei polo-like protein kinase 0.0114 0.099 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0429 0.1417
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.099 1
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0056 0.0289
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0056 0.0056
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0056 0.0185
Schistosoma mansoni hypothetical protein 0.0041 0.023 0.1191
Brugia malayi steroid hormone receptor 0.0024 0.0056 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0056 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0056 0.0185

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.4 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence resonance energy transfer assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 13.06 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 13.282 uM PubChem BioAssay. Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3):Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 66.6 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2311 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) 0.2593 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.651 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) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 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) 13.1154 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 for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 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) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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