Detailed information for compound 1855537

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.595 | Formula: C20H21N3O2S3
  • H donors: 2 H acceptors: 2 LogP: 3.49 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2NC(C)(C)c3c(c2cc1C)/c(=N/c1ccc(cc1)S(=O)(=O)N)/ss3
  • InChi: 1S/C20H21N3O2S3/c1-11-9-15-16(10-12(11)2)23-20(3,4)18-17(15)19(27-26-18)22-13-5-7-14(8-6-13)28(21,24)25/h5-10,23H,1-4H3,(H2,21,24,25)/b22-19-
  • InChiKey: QRFDLGRLGWKKPY-QOCHGBHMSA-N  


Substructure search Similarity search

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 bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
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 transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Trypanosoma brucei 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 brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Leishmania major 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_133916 All targets in OG5_133916
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5835 0.5832
Echinococcus multilocularis carboxylesterase 5A 0.0605 0.7193 0.7191
Onchocerca volvulus 0.0102 0.1027 0.1349
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0682 0.0675
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0102 0.1027 0.1027
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0026 0.0019
Echinococcus granulosus cpg binding protein 0.0039 0.0251 0.0244
Brugia malayi Bromodomain containing protein 0.0038 0.024 0.0324
Echinococcus multilocularis neuroligin 0.0102 0.1027 0.102
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0036 0.0036
Echinococcus granulosus acetylcholinesterase 0.0605 0.7193 0.7191
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0205 0.0198
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0478 0.0478
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0291 1
Loa Loa (eye worm) carboxylesterase 0.0102 0.1027 0.1419
Echinococcus multilocularis cpg binding protein 0.0039 0.0251 0.0244
Echinococcus granulosus para nitrobenzyl esterase 0.0102 0.1027 0.102
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0205 0.6969
Schistosoma mansoni transcription factor btf3 0.0042 0.0291 0.0291
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0026 0.0026
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0665 0.0916
Brugia malayi Carboxylesterase family protein 0.0102 0.1027 0.1419
Onchocerca volvulus 0.0535 0.6337 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0007 0.0254
Schistosoma mansoni hypothetical protein 0.0038 0.0241 0.0241
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2867 0.3979
Trichomonas vaginalis set domain proteins, putative 0.0287 0.3293 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0241 0.0325
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0007 0.0254
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0102 0.1027 0.102
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0349 0.0349
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0007 0.0254
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0241 0.0234
Schistosoma mansoni BC026374 protein (S09 family) 0.0102 0.1027 0.1027
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0079 0.01
Echinococcus granulosus carboxylesterase 5A 0.0605 0.7193 0.7191
Leishmania major basic transcription factor 3a, putative 0.0042 0.0291 1
Echinococcus multilocularis peregrin 0.0038 0.024 0.0233
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5835 0.5832
Loa Loa (eye worm) hypothetical protein 0.0085 0.0821 0.1133
Loa Loa (eye worm) hypothetical protein 0.0046 0.0342 0.0465
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0451 0.0444
Brugia malayi PHD-finger family protein 0.0035 0.0205 0.0275
Onchocerca volvulus 0.0102 0.1027 0.1349
Loa Loa (eye worm) hypothetical protein 0.0605 0.7193 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1188 0.1182
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Brugia malayi Carboxylesterase family protein 0.0102 0.1027 0.1419
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0007 0.0254
Loa Loa (eye worm) hypothetical protein 0.006 0.0514 0.0705
Echinococcus granulosus neuroligin 0.0102 0.1027 0.102
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0102 0.1027 0.2451
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0478 0.0471
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0102 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0082 0.0783 0.108
Mycobacterium tuberculosis Carboxylesterase LipT 0.0102 0.1027 1
Schistosoma mansoni acetylcholinesterase 0.0102 0.1027 0.1027
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0605 0.7193 0.7193
Echinococcus multilocularis acetylcholinesterase 0.0605 0.7193 0.7191
Onchocerca volvulus 0.0102 0.1027 0.1349
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0682 0.0675
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0035 0.0039
Mycobacterium ulcerans carboxylesterase, LipT 0.0102 0.1027 0.5
Echinococcus multilocularis Protein lozenge 0.0067 0.0597 0.059
Brugia malayi Carboxylesterase family protein 0.0605 0.7193 1
Entamoeba histolytica hypothetical protein 0.0043 0.0306 1
Schistosoma mansoni hypothetical protein 0.0038 0.0241 0.0241
Echinococcus multilocularis GPCR, family 2 0.0038 0.0241 0.0234
Schistosoma mansoni hypothetical protein 0.0205 0.2284 0.2284
Echinococcus granulosus transcription factor btf3 0.0042 0.0291 0.0284
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0205 0.0275
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0205 0.0205
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0291 0.4555
Echinococcus multilocularis transcription factor btf3 0.0042 0.0291 0.0284
Schistosoma mansoni neuroligin 3 (S09 family) 0.0102 0.1027 0.1027
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0478 0.0471
Loa Loa (eye worm) hypothetical protein 0.0035 0.0205 0.0275
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0306 0.0299
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0007 0.0254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Trichomonas vaginalis spcc417.12 protein, putative 0.0102 0.1027 0.2451
Schistosoma mansoni bromodomain containing protein 0.0078 0.0735 0.0735
Brugia malayi Pre-SET motif family protein 0.0037 0.0225 0.0303
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0375 0.0367
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0241 0.0325
Loa Loa (eye worm) runx1 0.0067 0.0597 0.082
Loa Loa (eye worm) hypothetical protein 0.012 0.1251 0.173
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0306 0.0306
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1188 0.1182
Brugia malayi beta-NAC-like protein 0.0042 0.0291 0.0395
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0102 0.1027 1
Echinococcus granulosus zinc finger protein 0.0026 0.0088 0.008
Echinococcus granulosus BC026374 protein S09 family 0.0102 0.1027 0.102
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0102 0.1027 0.102
Onchocerca volvulus 0.0037 0.0225 0.0042
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0241 0.0325
Schistosoma mansoni hypothetical protein 0.0082 0.0783 0.0783
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0451 0.0444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Schistosoma mansoni hypothetical protein 0.0038 0.0241 0.0241
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0132 0.0132
Brugia malayi Carboxylesterase family protein 0.0102 0.1027 0.1419
Schistosoma mansoni hypothetical protein 0.0205 0.2284 0.2284
Loa Loa (eye worm) hypothetical protein 0.0605 0.7193 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0241 0.0234
Onchocerca volvulus 0.0287 0.3293 0.5041
Schistosoma mansoni zinc finger protein 0.0026 0.0088 0.0088
Brugia malayi Pre-SET motif family protein 0.0252 0.2867 0.3979
Echinococcus multilocularis acetylcholinesterase 0.0605 0.7193 0.7191
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0783 0.108
Schistosoma mansoni gliotactin 0.0102 0.1027 0.1027
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0291 0.0395
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0132 0.0124
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Schistosoma mansoni hypothetical protein 0.0025 0.0079 0.0079
Onchocerca volvulus 0.0102 0.1027 0.1349
Echinococcus granulosus acetylcholinesterase 0.0605 0.7193 0.7191
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0241 0.0234
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0205 0.3174
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0225 0.3489
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0478 0.0478
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.0631 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.043 0.0587
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1543 0.2136
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0241 0.0234
Schistosoma mansoni cpg binding protein 0.0039 0.0251 0.0251
Brugia malayi PHD-finger family protein 0.0032 0.0167 0.0222
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0199 0.0266
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0102 0.1027 1
Brugia malayi Carboxylesterase family protein 0.0605 0.7193 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.6337 0.8809
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.1251 0.173
Brugia malayi F/Y-rich N-terminus family protein 0.0026 0.0089 0.0114
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0306 0.0299
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Echinococcus granulosus peregrin 0.0038 0.024 0.0233
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1543 0.2136
Loa Loa (eye worm) acetylcholinesterase 1 0.0605 0.7193 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0451 0.0444
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0026 0.0026
Echinococcus multilocularis geminin 0.0205 0.2284 0.2279
Brugia malayi hypothetical protein 0.0043 0.0306 0.0416
Entamoeba histolytica hypothetical protein 0.0043 0.0306 1
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0291 1
Brugia malayi Bromodomain containing protein 0.0046 0.0341 0.0464
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0296 0.0289
Brugia malayi Bromodomain containing protein 0.0093 0.0909 0.1255
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0898 0.0898
Schistosoma mansoni cpg binding protein 0.0035 0.0199 0.0199
Schistosoma mansoni hypothetical protein 0.0038 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0535 0.6337 0.8809
Onchocerca volvulus Alhambra homolog 0.0035 0.0205 0.001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0225 0.0225
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0205 0.3174
Loa Loa (eye worm) carboxylesterase 0.0102 0.1027 0.1419
Onchocerca volvulus 0.0102 0.1027 0.1349
Echinococcus granulosus GPCR family 2 0.0038 0.0241 0.0234
Schistosoma mansoni hypothetical protein 0.0035 0.0205 0.0205
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0225 0.0218
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Loa Loa (eye worm) carboxylesterase 0.0605 0.7193 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0306 0.0299
Plasmodium vivax SET domain protein, putative 0.0037 0.0225 0.766
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0451 0.0618
Schistosoma mansoni lozenge 0.0067 0.0597 0.0597
Echinococcus multilocularis BC026374 protein (S09 family) 0.0102 0.1027 0.102
Loa Loa (eye worm) hypothetical protein 0.0057 0.0478 0.0654
Plasmodium falciparum phd finger protein, putative 0.0035 0.0205 0.6969
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0205 0.0198
Echinococcus granulosus geminin 0.0205 0.2284 0.2279
Brugia malayi Carboxylesterase family protein 0.0102 0.1027 0.1419
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0692 0.0692
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.1251 0.173
Brugia malayi CXXC zinc finger family protein 0.0035 0.0199 0.0266
Loa Loa (eye worm) hypothetical protein 0.0049 0.0377 0.0514
Echinococcus multilocularis zinc finger protein 0.0026 0.0088 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0225 0.0225
Brugia malayi jmjC domain containing protein 0.0047 0.0349 0.0475
Schistosoma mansoni cpg binding protein 0.0039 0.0251 0.0251
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0451 0.0618
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0007 0.0007
Echinococcus multilocularis para nitrobenzyl esterase 0.0102 0.1027 0.102
Loa Loa (eye worm) hypothetical protein 0.0102 0.1027 0.1419
Brugia malayi hypothetical protein 0.0102 0.1027 0.1419
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0291 1
Entamoeba histolytica hypothetical protein 0.0043 0.0306 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0291 1
Schistosoma mansoni hypothetical protein 0.0494 0.5835 0.5835
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0132 0.0124
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.0349 0.0349
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0451 0.0444
Brugia malayi MH2 domain containing protein 0.0144 0.1543 0.2136
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0306 0.0299
Loa Loa (eye worm) hypothetical protein 0.0038 0.0241 0.0325
Brugia malayi jmjC domain containing protein 0.0115 0.1188 0.1643
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0199 0.0192
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0291 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0375 0.0367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0451 0.0451
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0102 0.1027 0.1027
Giardia lamblia PHD finger protein 15 0.0035 0.0205 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0306 1
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.0349 0.0342
Brugia malayi hypothetical protein 0.0535 0.6337 0.8809
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.1251 0.173
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0349 0.0475
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0026 0.0019
Schistosoma mansoni hypothetical protein 0.0043 0.0306 0.0306
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 11.749 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 26.082 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (binding) = 2.5119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 3.1623 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) 3.1623 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 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) = 7.0795 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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 (binding) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 12.5893 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) 12.9953 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) 56.2341 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) 63.0957 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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.