Detailed information for compound 1204738

Basic information

Technical information
  • TDR Targets ID: 1204738
  • Name: ethyl 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfany lacetate
  • MW: 292.353 | Formula: C14H16N2O3S
  • H donors: 0 H acceptors: 2 LogP: 2.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CSc1nc2ccccc2c(=O)n1CC
  • InChi: 1S/C14H16N2O3S/c1-3-16-13(18)10-7-5-6-8-11(10)15-14(16)20-9-12(17)19-4-2/h5-8H,3-4,9H2,1-2H3
  • InChiKey: SXIIZZWYPGFOMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetate
  • 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid ethyl ester
  • 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetic acid ethyl ester
  • ethyl 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylethanoate
  • STOCK1S-30734
  • MLS000061262
  • SMR000070131
  • ethyl [(3-ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]acetate
  • AJ-292/11720076
  • ZINC00292443

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.002 0.0001
Brugia malayi hypothetical protein 0.0051 0.0052 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0097 0.014 0.2
Brugia malayi hypothetical protein 0.0046 0.0042 0.0592
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0042 0.0233
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0109 0.0163 0.0635
Loa Loa (eye worm) hypothetical protein 0.0154 0.0251 0.3586
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0327 0.0585 0.5737
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.002 0.0015
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.002 0.0001
Mycobacterium ulcerans transcriptional regulator 0.1353 0.2569 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.0116 0.6955
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Schistosoma mansoni patched 1 0.0042 0.0034 0.0157
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0051 0.0052 0.0743
Mycobacterium tuberculosis Probable oxidoreductase 0.0856 0.1608 0.6258
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.0116 0.0992
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0097 0.014 0.1233
Brugia malayi orphan nuclear receptor NR2E1 0.0046 0.0042 0.0592
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Echinococcus granulosus geminin 0.0544 0.1005 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.0148 0.2104
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0038 0.0026 0.0375
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0049 0.0704
Echinococcus granulosus metabotropic glutamate receptor 5 0.005 0.0049 0.031
Brugia malayi hypothetical protein 0.0033 0.0017 0.0239
Loa Loa (eye worm) hypothetical protein 0.0317 0.0567 0.8086
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Onchocerca volvulus 0.005 0.0049 0.1963
Brugia malayi beta-NAC-like protein 0.0041 0.0032 0.0456
Schistosoma mansoni nuclear receptor nhr-48 0.0046 0.0042 0.0233
Schistosoma mansoni nuclear receptor 0.0046 0.0042 0.0233
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0042 0.0592
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0075 0.0099 0.2129
Brugia malayi photoreceptor-specific nuclear receptor 0.0097 0.014 0.2
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0097 0.014 0.2
Brugia malayi RNA binding protein 0.0327 0.0585 0.8339
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0141 0.1244
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Brugia malayi Steroid receptor seven-up type 2 0.0097 0.014 0.2
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0097 0.014 0.1233
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0163 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0743
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0109 0.0163 0.0635
Echinococcus multilocularis tumor protein p63 0.0364 0.0658 0.064
Brugia malayi MH2 domain containing protein 0.0139 0.0222 0.3161
Mycobacterium ulcerans esterase/lipase LipP 0.0109 0.0163 0.0635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0387 0.0701 0.0684
Brugia malayi nuclear receptor RXR 0.0051 0.0052 0.0743
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0042 0.0233
Onchocerca volvulus 0.0154 0.0251 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0034 0.0157
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0099 0.5534
Loa Loa (eye worm) hypothetical protein 0.004 0.003 0.0434
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0097 0.014 0.1233
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0097 0.014 0.1233
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0222 0.0204
Brugia malayi hypothetical protein 0.0051 0.0051 0.0734
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0743
Loa Loa (eye worm) TAR-binding protein 0.0327 0.0585 0.8339
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0327 0.0585 0.8339
Loa Loa (eye worm) hypothetical protein 0.0081 0.011 0.157
Onchocerca volvulus 0.0053 0.0057 0.2247
Mycobacterium tuberculosis Probable hydrolase 0.0109 0.0163 0.0635
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0097 0.014 0.2
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0387 0.0701 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0099 0.6081
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0097 0.014 0.5577
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0163 0.1466
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Loa Loa (eye worm) hypothetical protein 0.0042 0.0034 0.0485
Echinococcus granulosus expressed conserved protein 0.0091 0.013 0.1128
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0163 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0037 0.0026 0.0367
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0097 0.014 0.1233
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0097 0.014 0.0122
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0084 0.0327
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0054 0.0057 0.0039
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0046 0.0042 0.0592
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0222 0.2061
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0097 0.014 0.1233
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.002 0.1227
Schistosoma mansoni hypothetical protein 0.004 0.0031 0.0127
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.0373 0.5317
Schistosoma mansoni zinc finger protein 0.0046 0.0042 0.0233
Loa Loa (eye worm) hypothetical protein 0.0243 0.0424 0.6045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0097 0.014 0.1233
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.006 0.0235
Schistosoma mansoni tar DNA-binding protein 0.0327 0.0585 0.5737
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0097 0.014 0.1233
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0075 0.0099 0.5127
Entamoeba histolytica hypothetical protein 0.0265 0.0466 1
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.0424 0.0406
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0051 0.3923
Schistosoma mansoni inositol monophosphatase 0.0075 0.0099 0.0818
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0042 0.0023
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.01 0.0148 0.0129
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.002 0.0078
Brugia malayi nuclear receptor NHR-88 0.0097 0.014 0.2
Echinococcus granulosus FTZ F1 alpha 0.0097 0.014 0.1233
Onchocerca volvulus 0.0109 0.0163 0.6491
Schistosoma mansoni inositol monophosphatase 0.0075 0.0099 0.0818
Brugia malayi hypothetical protein 0.0051 0.0052 0.0743
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0051 0.0052 0.034
Loa Loa (eye worm) hypothetical protein 0.0083 0.0113 0.1612
Entamoeba histolytica hypothetical protein 0.0265 0.0466 1
Onchocerca volvulus 0.0109 0.0163 0.6491
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0743
Toxoplasma gondii ABC1 family protein 0.0109 0.0163 1
Schistosoma mansoni hypothetical protein 0.004 0.0031 0.0127
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0042 0.1652
Toxoplasma gondii NAC domain-containing protein 0.0041 0.0032 0.1458
Schistosoma mansoni thyroid hormone receptor 0.0097 0.014 0.1233
Loa Loa (eye worm) nuclear hormone receptor 0.0046 0.0042 0.0592
Schistosoma mansoni hypothetical protein 0.01 0.0148 0.1307
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0109 0.0163 0.0635
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.0116 0.0098
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0052 0.034
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Brugia malayi beta-lactamase family protein 0.0109 0.0163 0.2328
Brugia malayi Calcitonin receptor-like protein seb-1 0.0317 0.0567 0.8086
Echinococcus granulosus tumor protein p63 0.0364 0.0658 0.6477
Loa Loa (eye worm) latrophilin receptor protein 2 0.01 0.0148 0.2104
Onchocerca volvulus 0.0109 0.0163 0.6491
Echinococcus granulosus aryl hydrocarbon receptor 0.0054 0.0057 0.0393
Loa Loa (eye worm) glutamate receptor 0.004 0.0031 0.0445
Schistosoma mansoni hypothetical protein 0.01 0.0148 0.1307
Schistosoma mansoni hypothetical protein 0.0544 0.1005 1
Brugia malayi TAR-binding protein 0.0327 0.0585 0.8339
Brugia malayi hypothetical protein 0.0243 0.0424 0.6045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0042 0.0233
Brugia malayi hypothetical protein 0.0053 0.0057 0.081
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0109 0.0163 0.2328
Mycobacterium tuberculosis Probable esterase LipL 0.0109 0.0163 0.0635
Brugia malayi hypothetical protein 0.0046 0.0042 0.0592
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0031 0.0445
Mycobacterium leprae Probable lipase LipE 0.0109 0.0163 0.0635
Brugia malayi isocitrate dehydrogenase 0.0034 0.002 0.0286
Echinococcus multilocularis ecdysone induced protein 78C 0.0097 0.014 0.0122
Brugia malayi Inositol-1 0.0075 0.0099 0.1416
Brugia malayi conserved hypotetical protein 0.0046 0.0042 0.0592
Brugia malayi nuclear hormone receptor 0.0097 0.014 0.2
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.002 0.0001
Onchocerca volvulus Bile acid receptor homolog 0.0097 0.014 0.5577
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0084 0.0327
Loa Loa (eye worm) DR-78 0.0046 0.0042 0.0592
Loa Loa (eye worm) hypothetical protein 0.0097 0.0141 0.2015
Brugia malayi intermediate filament protein 0.0083 0.0113 0.1612
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0367
Echinococcus multilocularis protein dispatched 1 0.0048 0.0045 0.0027
Loa Loa (eye worm) hypothetical protein 0.01 0.0148 0.2104
Brugia malayi beta-lactamase 0.0109 0.0163 0.2328
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0075 0.0099 0.5127
Echinococcus multilocularis nuclear receptor nhr 48 0.0046 0.0042 0.0023
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0744
Echinococcus granulosus lamin 0.0083 0.0113 0.0957
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0042 0.0592
Echinococcus multilocularis lamin 0.0083 0.0113 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0097 0.014 0.2
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0051 0.2728
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Brugia malayi Nuclear hormone receptor-like 1 0.0097 0.014 0.2
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0387 0.0701 0.6917
Echinococcus multilocularis metabotropic glutamate receptor 5 0.005 0.0049 0.0031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0097 0.014 0.1233
Loa Loa (eye worm) intermediate filament protein 0.0083 0.0113 0.1612
Brugia malayi steroid hormone receptor 0.0097 0.014 0.2
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.002 0.068
Loa Loa (eye worm) nuclear receptor NHR-67 0.0046 0.0042 0.0592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0097 0.014 0.2
Brugia malayi ecdysone receptor 0.0046 0.0042 0.0592
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.006 0.0423
Echinococcus granulosus GPCR family 2 0.01 0.0148 0.1307
Trichomonas vaginalis inositol monophosphatase, putative 0.0075 0.0099 0.5127
Schistosoma mansoni hypothetical protein 0.004 0.0031 0.0127
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.1353 0.2569 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Mycobacterium leprae conserved hypothetical protein 0.0109 0.0163 0.0635
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.002 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0097 0.014 0.2
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0097 0.014 0.2
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Onchocerca volvulus 0.0083 0.0113 0.4495
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.003 0.012
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.002 0.068
Schistosoma mansoni tar DNA-binding protein 0.0327 0.0585 0.5737
Echinococcus multilocularis protein patched 0.0042 0.0034 0.0016
Loa Loa (eye worm) hypothetical protein 0.0038 0.0028 0.0393
Echinococcus granulosus tar DNA binding protein 0.0327 0.0585 0.5737
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0046 0.0042 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0097 0.014 0.2
Loa Loa (eye worm) steroid hormone receptor 0.0097 0.014 0.2
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.0032 0.0834
Leishmania major hypothetical protein, conserved 0.0051 0.0051 0.3155
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0097 0.014 0.2
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0097 0.014 0.2
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.002 0.0978
Brugia malayi nuclear receptor NHR-88 0.0046 0.0042 0.0592
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0038 0.0026 0.0375
Echinococcus multilocularis GPCR, family 2 0.01 0.0148 0.0129
Schistosoma mansoni RAR-like nuclear receptor 0.0097 0.014 0.1233
Mycobacterium ulcerans beta-lactamase 0.0109 0.0163 0.0635
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0046 0.0042 0.0023
Mycobacterium ulcerans lipase LipD 0.0109 0.0163 0.0635
Brugia malayi hypothetical protein 0.0142 0.0229 0.3261
Echinococcus multilocularis thyroid hormone receptor alpha 0.0097 0.014 0.0122
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.002 0.0286
Loa Loa (eye worm) hypothetical protein 0.0217 0.0373 0.5317
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Entamoeba histolytica hypothetical protein 0.0041 0.0032 0.0686
Onchocerca volvulus 0.0046 0.0042 0.1652
Entamoeba histolytica transcription factor BTF3, putative 0.0041 0.0032 0.0686
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0097 0.014 0.0122
Leishmania major basic transcription factor 3a, putative 0.0041 0.0032 0.1959
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0046 0.0042 0.0592
Onchocerca volvulus Protein ultraspiracle homolog 0.0097 0.014 0.5577
Echinococcus granulosus intermediate filament protein 0.0083 0.0113 0.0957
Echinococcus granulosus inositol monophosphatase 1 0.0075 0.0099 0.0818
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0034 0.0485
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0097 0.014 0.0122
Echinococcus granulosus ecdysone induced protein 78C 0.0097 0.014 0.1233
Brugia malayi Intermediate filament tail domain containing protein 0.0083 0.0113 0.1612
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0034 0.0157
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0144 0.1273
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0099 0.5534
Loa Loa (eye worm) RNA binding protein 0.0327 0.0585 0.8339
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0075 0.0099 0.5837
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0052 0.0743
Brugia malayi beta-lactamase family protein 0.0109 0.0163 0.2328
Brugia malayi Probable ClpP-like protease 0.0084 0.0116 0.166
Schistosoma mansoni hypothetical protein 0.004 0.0031 0.0127
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0265 0.0466 0.4537
Brugia malayi hypothetical protein 0.0038 0.0026 0.0375
Schistosoma mansoni hypothetical protein 0.01 0.0148 0.1307
Schistosoma mansoni hypothetical protein 0.01 0.0148 0.1307
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.003 0.0012
Schistosoma mansoni steroid hormone receptor ad4bp 0.0097 0.014 0.1233
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0097 0.014 0.2
Mycobacterium tuberculosis Conserved protein 0.0109 0.0163 0.0635
Mycobacterium ulcerans TetR family transcriptional regulator 0.1353 0.2569 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0097 0.014 0.2
Brugia malayi hypothetical protein 0.0265 0.0466 0.665
Plasmodium falciparum basic transcription factor 3b, putative 0.0041 0.0032 0.2096
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0042 0.0023
Echinococcus multilocularis tar DNA binding protein 0.0327 0.0585 0.0567
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0097 0.014 0.0122
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0052 0.0743
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.006 0.0235
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.006 0.0042
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0163 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 0.5
Brugia malayi nuclear receptor RXR 0.0046 0.0042 0.0592
Schistosoma mansoni transcription factor LCR-F1 0.0265 0.0466 0.4537
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0693 0.1294 0.5035
Loa Loa (eye worm) hypothetical protein 0.0051 0.0051 0.0734
Mycobacterium tuberculosis Conserved protein 0.0109 0.0163 0.0635
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0097 0.014 0.1233
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0042 0.1652
Onchocerca volvulus 0.0083 0.0113 0.4495
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0097 0.014 0.2
Loa Loa (eye worm) hypothetical protein 0.0053 0.0057 0.081
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0042 0.0233
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0116 0.6955
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.01 0.0148 0.1307
Echinococcus multilocularis expressed conserved protein 0.0091 0.013 0.0112
Loa Loa (eye worm) inositol-1 0.0075 0.0099 0.1416
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.001 0.0037
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0141 0.2015
Loa Loa (eye worm) hypothetical protein 0.0142 0.0229 0.3261
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0042 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0387 0.0701 0.6917
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0097 0.014 0.2
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0141 0.303
Loa Loa (eye worm) hypothetical protein 0.005 0.0049 0.0701
Loa Loa (eye worm) beta-lactamase 0.0109 0.0163 0.2328
Echinococcus multilocularis inositol monophosphatase 1 0.0075 0.0099 0.0081
Echinococcus multilocularis lamin dm0 0.0083 0.0113 0.0095
Brugia malayi nuclear hormone receptor 0.0046 0.0042 0.0592
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 0.0453
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0163 1
Echinococcus granulosus lamin dm0 0.0083 0.0113 0.0957
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0097 0.014 0.2
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.0222 0.3161
Entamoeba histolytica hypothetical protein 0.0265 0.0466 1
Echinococcus multilocularis musashi 0.0083 0.0113 0.0095
Loa Loa (eye worm) hypothetical protein 0.0038 0.0028 0.0393
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0097 0.014 0.0122
Leishmania major hypothetical protein, conserved 0.0109 0.0163 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0097 0.014 0.2
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0046 0.0042 0.0233
Schistosoma mansoni intermediate filament proteins 0.0083 0.0113 0.0957
Brugia malayi ecdysteroid receptor 0.0097 0.014 0.2
Brugia malayi nuclear hormone receptor family member nhr-6 0.0046 0.0042 0.0592
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0038 0.0026 0.0375
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0034 0.0016
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0034 0.0157
Brugia malayi cytoplasmic intermediate filament protein 0.0044 0.0039 0.0555
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0097 0.014 0.2
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0317 0.0567 0.8086
Mycobacterium tuberculosis Conserved protein 0.0109 0.0163 0.0635
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0387 0.0701 1
Onchocerca volvulus 0.0046 0.0042 0.1652
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0051 0.2198
Schistosoma mansoni thyroid hormone receptor 0.0097 0.014 0.1233
Loa Loa (eye worm) hypothetical protein 0.0084 0.0116 0.166
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0051 0.0052 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0317 0.0567 0.8086
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0083 0.0113 0.1612
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0097 0.014 0.1233
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.01 0.0148 0.0129
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0097 0.014 0.2
Trypanosoma brucei transcription factor BTF3, putative 0.0041 0.0032 0.0834
Loa Loa (eye worm) ICD-1 protein 0.0041 0.0032 0.0456
Echinococcus multilocularis beta LACTamase domain containing family member 0.0109 0.0163 0.0145
Mycobacterium ulcerans hypothetical protein 0.0109 0.0163 0.0635
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0387 0.0701 0.6917
Schistosoma mansoni hypothetical protein 0.0544 0.1005 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0109 0.0163 0.0635
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0141 0.0123
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0051 0.2198
Brugia malayi hypothetical protein 0.0037 0.0026 0.0367
Schistosoma mansoni lamin 0.0083 0.0113 0.0957
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0387 0.0701 0.6917
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0097 0.014 0.2
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0743
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0042 0.0023
Mycobacterium ulcerans short chain dehydrogenase 0.0856 0.1608 0.6258
Schistosoma mansoni nuclear receptor 0.0046 0.0042 0.0233
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0367
Schistosoma mansoni lamin 0.0083 0.0113 0.0957
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0367
Schistosoma mansoni nuclear hormone receptor 0.0097 0.014 0.1233
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.002 0.068
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0097 0.014 0.2
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0163 0.1466
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1353 0.2569 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.0424 0.4107
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.0099 0.5534
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0051 0.0052 0.034
Loa Loa (eye worm) hypothetical protein 0.0053 0.0057 0.0806
Mycobacterium tuberculosis Probable lipase LipD 0.0109 0.0163 0.0635
Loa Loa (eye worm) hypothetical protein 0.0142 0.0229 0.3261
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0051 0.3923
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.2
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Brugia malayi nuclear receptor NHR-67 0.0046 0.0042 0.0592
Brugia malayi Latrophilin receptor protein 2 0.01 0.0148 0.2104
Schistosoma mansoni coup transcription factor 0.0097 0.014 0.1233
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0109 0.0163 0.2328
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.002 0.0001
Echinococcus multilocularis FTZ F1 alpha 0.0097 0.014 0.0122
Schistosoma mansoni survival motor neuron protein 0.005 0.0049 0.0312
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0387 0.0701 0.0684
Schistosoma mansoni hypothetical protein 0.0265 0.0466 0.4537
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0075 0.0099 0.0386
Echinococcus granulosus beta LACTamase domain containing family member 0.0109 0.0163 0.1466
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0387 0.0701 0.6917
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0163 1
Mycobacterium tuberculosis Probable lipase LipE 0.0109 0.0163 0.0635
Brugia malayi hypothetical protein 0.0154 0.0251 0.3586
Schistosoma mansoni hypothetical protein 0.0217 0.0373 0.359
Onchocerca volvulus 0.0097 0.014 0.5577
Brugia malayi tailless protein 0.0046 0.0042 0.0592
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.006 0.0235
Schistosoma mansoni retinoic acid receptor RXR 0.0097 0.014 0.1233
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1353 0.2569 1
Schistosoma mansoni tar DNA-binding protein 0.0327 0.0585 0.5737
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0046 0.0042 0.0233
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0057 0.0385
Brugia malayi nuclear hormone receptor family member odr-7 0.0046 0.0042 0.0592
Plasmodium vivax basic transcription factor 3b, putative 0.0041 0.0032 0.1458
Onchocerca volvulus Huntingtin homolog 0.0142 0.0229 0.9095
Loa Loa (eye worm) hypothetical protein 0.0051 0.0052 0.0743
Onchocerca volvulus 0.0053 0.0057 0.2259
Brugia malayi CHE-14 protein 0.0042 0.0034 0.0485
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0051 0.2728
Schistosoma mansoni tar DNA-binding protein 0.0327 0.0585 0.5737
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0265 0.0466 0.0449
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0054 0.0057 0.0818
Schistosoma mansoni hypothetical protein 0.005 0.0049 0.0312
Schistosoma mansoni transcription factor btf3 0.0041 0.0032 0.0136
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.0116 0.0992
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0046 0.0042 0.0023
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0097 0.014 0.0122
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0116 0.6955
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0042 0.0236
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0163 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0051 0.2198
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0116 0.0453
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0038 0.0026 0.0078
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.002 0.0015
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0163 1
Onchocerca volvulus Protein cycle homolog 0.0038 0.0026 0.1045
Echinococcus granulosus nuclear receptor nhr 48 0.0046 0.0042 0.0233
Echinococcus multilocularis transcription factor btf3 0.0041 0.0032 0.0013
Onchocerca volvulus Huntingtin homolog 0.0142 0.0229 0.9095
Trypanosoma cruzi transcription factor btf3, putative 0.0041 0.0032 0.0834
Echinococcus granulosus transcription factor btf3 0.0041 0.0032 0.0136
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0044 0.0039 0.0555
Loa Loa (eye worm) hypothetical protein 0.0109 0.0163 0.2328
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0097 0.014 0.1233
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.0222 0.3161
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0116 0.0453
Entamoeba histolytica hypothetical protein 0.0265 0.0466 1
Brugia malayi Isocitrate dehydrogenase 0.0034 0.002 0.0286
Loa Loa (eye worm) hypothetical protein 0.0046 0.0042 0.0592
Echinococcus granulosus thyroid hormone receptor alpha 0.0046 0.0042 0.0233
Echinococcus multilocularis geminin 0.0544 0.1005 0.0989
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0024 0.034
Brugia malayi RNA recognition motif domain containing protein 0.0327 0.0585 0.8339
Trypanosoma brucei hypothetical protein, conserved 0.0109 0.0163 1
Trichomonas vaginalis esterase, putative 0.0109 0.0163 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0097 0.014 0.1233
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0163 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.01 0.0148 0.1307

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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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