Detailed information for compound 1137777

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.429 | Formula: C18H21NO4S
  • H donors: 2 H acceptors: 4 LogP: 2.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)S(=O)(=O)N(C1CC1)C[C@@](c1ccccc1)(O)C
  • InChi: 1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1
  • InChiKey: GYHSDCAQMDKVKI-SFHVURJKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL References
Homo sapiens estrogen receptor 1 Starlite/ChEMBL 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis GPCR, family 2 0.0049 0.0676 0.069
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0262 0.0262
Brugia malayi MH2 domain containing protein 0.0017 0.004 0.004
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0462 0.8341
Schistosoma mansoni hypothetical protein 0.0177 0.3193 0.613
Schistosoma mansoni lamin 0.0028 0.0258 0.0495
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0948 0.9272
Trichomonas vaginalis AGC family protein kinase 0.0165 0.2952 0.5245
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.102 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0262 0.0268
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0262 0.0503
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0462 0.5
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.0549 0.5274
Entamoeba histolytica protein kinase, putative 0.0165 0.2952 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0355 0.6305
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0262 0.0268
Schistosoma mansoni hypothetical protein 0.0049 0.0676 0.1298
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.3896 0.3896
Loa Loa (eye worm) hypothetical protein 0.0027 0.0248 0.0248
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0258 0.0258
Brugia malayi Cytochrome P450 family protein 0.0036 0.0407 0.0407
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0262 0.001
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0262 0.0262
Loa Loa (eye worm) Smad1 0.0017 0.004 0.004
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0307 0.0314
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0462 0.8341
Loa Loa (eye worm) hypothetical protein 0.0019 0.0091 0.0091
Echinococcus multilocularis short transient receptor potential channel 6 0.0133 0.2332 0.2381
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0262 0.0262
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0307 0.0314
Echinococcus granulosus smad 0.0017 0.004 0.004
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0948 0.0948
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.004 0.004
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0262 0.0262
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0262 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1077 0.2068
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0165 0.2952 0.3014
Schistosoma mansoni smad1 5 8 and 0.0017 0.004 0.0076
Echinococcus granulosus transient receptor potential gamma protein 0.0201 0.3676 0.3754
Mycobacterium ulcerans glutaminase 0.0279 0.5209 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0355 0.6305
Echinococcus multilocularis 0.0016 0.0023 0.0024
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0948 0.182
Brugia malayi MH2 domain containing protein 0.0017 0.004 0.004
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0043 0.0549 0.5
Onchocerca volvulus 0.003 0.0307 0.0117
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0002 0.0002
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.4594 0.4594
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0549 0.0184
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.102 0.1959
Echinococcus multilocularis short transient receptor potential channel 6 0.0133 0.2332 0.2381
Echinococcus granulosus GPCR family 2 0.0049 0.0676 0.069
Brugia malayi Protein kinase domain containing protein 0.0165 0.2952 0.2952
Loa Loa (eye worm) hypothetical protein 0.0068 0.105 0.105
Schistosoma mansoni intermediate filament proteins 0.0028 0.0258 0.0495
Brugia malayi cytochrome P450 0.0016 0.0023 0.0023
Echinococcus granulosus TRP transient receptor potential channel 0.0075 0.1183 0.1208
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0262 0.0503
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0676 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0549 0.0184
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0383 0.3605
Trichomonas vaginalis glutaminase, putative 0.0279 0.5209 1
Brugia malayi Transient-receptor-potential like protein 0.0075 0.1183 0.1183
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0355 0.6305
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0262 0.0503
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0549 1
Brugia malayi glutaminase DH11.1 0.0279 0.5209 0.5209
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.1077 0.1077
Onchocerca volvulus 0.0104 0.1764 0.3571
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0676 0.069
Brugia malayi Inositol-1 0.0038 0.0462 0.0462
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0262 0.0503
Loa Loa (eye worm) hypothetical protein 0.0043 0.0549 0.0549
Loa Loa (eye worm) glutaminase 2 0.0279 0.5209 0.5209
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0355 0.3325
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0355 0.0362
Loa Loa (eye worm) TAR-binding protein 0.0069 0.1077 0.1077
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0948 0.0968
Schistosoma mansoni hypothetical protein 0.0049 0.0676 0.1298
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0262 0.0503
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.004 0.004
Echinococcus granulosus short transient receptor potential channel 6 0.0133 0.2332 0.2381
Brugia malayi Cytochrome P450 family protein 0.0016 0.0023 0.0023
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1077 0.2068
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.0549 0.1054
Echinococcus granulosus transient receptor potential ion channel A 0.0195 0.3544 0.3618
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0002 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0262 0.0262
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0549 0.0561
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0075 0.1183 0.1208
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0262 0.001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0676 0.0676
Brugia malayi Cytochrome P450 family protein 0.0038 0.0458 0.0458
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0262 0.0268
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0262 0.0268
Schistosoma mansoni glutaminase 0.0279 0.5209 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0549 0.0561
Schistosoma mansoni hypothetical protein 0.0049 0.0676 0.1298
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.102 0.1923
Brugia malayi Smad1 0.0017 0.004 0.004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0307 0.059
Schistosoma mansoni coup transcription factor 0.0028 0.0262 0.0503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0262 0.0262
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0355 0.0355
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0262 0.0268
Schistosoma mansoni inositol monophosphatase 0.0038 0.0462 0.0886
Onchocerca volvulus 0.0242 0.4475 1
Brugia malayi TAR-binding protein 0.0069 0.1077 0.1077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.2771 0.2771
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0262 0.0268
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0676 0.0676
Echinococcus granulosus Smad4 0.0017 0.004 0.004
Echinococcus multilocularis geminin 0.0177 0.3193 0.3261
Echinococcus multilocularis transient receptor potential ion channel A 0.0195 0.3544 0.3618
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0948 0.0968
Schistosoma mansoni Smad4 0.0017 0.004 0.0076
Schistosoma mansoni transient receptor potential channel 0.0201 0.3676 0.7056
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.102 0.1923
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0262 0.0503
Schistosoma mansoni hypothetical protein 0.0016 0.0023 0.0044
Echinococcus multilocularis lamin dm0 0.0028 0.0258 0.0263
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0262 0.0262
Loa Loa (eye worm) cytochrome P450 0.0016 0.0023 0.0023
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0462 0.4399
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.0549 0.0561
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0262 0.0262
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0262 0.0262
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0165 0.2952 0.3014
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0407 0.0407
Echinococcus multilocularis lamin 0.0028 0.0258 0.0263
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0262 0.0503
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0262 0.0503
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0462 0.0472
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0165 0.2952 0.2952
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0355 0.3325
Brugia malayi hypothetical protein 0.0511 0.9793 0.9793
Loa Loa (eye worm) CYP4Cod1 0.0036 0.0407 0.0407
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0948 0.9272
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0355 0.0362
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0262 0.0268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.2771 0.2771
Loa Loa (eye worm) glutaminase 0.0279 0.5209 0.5209
Echinococcus granulosus survival motor neuron protein 1 0.0511 0.9793 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0355 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.0407 0.074
Schistosoma mansoni transient receptor potential channel 0.0133 0.2332 0.4477
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.2952 0.5666
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0262 0.0262
Schistosoma mansoni thyroid hormone receptor 0.0028 0.0262 0.0503
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0285 0.0291
Trypanosoma brucei cytochrome P450, putative 0.0036 0.0407 0.7299
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0104 0.1764 0.1764
Echinococcus granulosus geminin 0.0177 0.3193 0.3261
Schistosoma mansoni transient receptor potential channel 4 0.0201 0.3676 0.7056
Loa Loa (eye worm) hypothetical protein 0.0028 0.0258 0.0258
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.102 0.1923
Loa Loa (eye worm) hypothetical protein 0.0075 0.1183 0.1183
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.102 0.1042
Brugia malayi Cytochrome P450 family protein 0.0036 0.0407 0.0407
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.0549 0.0561
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.102 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0258 0.0258
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.4594 0.4594
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.0549 0.0549
Schistosoma mansoni smad1 5 8 and 0.0017 0.004 0.0076
Brugia malayi hypothetical protein 0.0158 0.2816 0.2816
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0262 0.0262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1077 0.2068
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0262 0.0262
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0355 0.3325
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.0049 0.0676 0.0676
Leishmania major cytochrome p450-like protein 0.0036 0.0407 0.3849
Echinococcus granulosus lamin dm0 0.0028 0.0258 0.0263
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0355 0.0681
Echinococcus multilocularis tar DNA binding protein 0.0069 0.1077 0.11
Echinococcus multilocularis musashi 0.0028 0.0258 0.0263
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0355 0.0362
Brugia malayi phosphoinositide-dependent protein kinase I 0.0165 0.2952 0.2952
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0355 0.3325
Schistosoma mansoni transient receptor potential channel 0.0133 0.2332 0.4477
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0458 0.0458
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0043 0.0549 0.035
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0355 0.0355
Echinococcus granulosus tar DNA binding protein 0.0069 0.1077 0.11
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0676 0.069
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0462 0.8341
Echinococcus multilocularis survival motor neuron protein 1 0.0511 0.9793 1
Brugia malayi RNA binding protein 0.0069 0.1077 0.1077
Schistosoma mansoni cytochrome P450 0.0016 0.0023 0.0044
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0262 0.0503
Brugia malayi nuclear receptor NHR-88 0.0028 0.0262 0.0262
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.004 0.004
Echinococcus granulosus lamin 0.0028 0.0258 0.0263
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1077 0.2068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0262 0.0262
Brugia malayi steroid hormone receptor 0.0028 0.0262 0.0262
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0307 0.059
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.2771 0.2771
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0407 0.7299
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.0355 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0462 0.0846
Schistosoma mansoni smad1 5 8 and 0.0017 0.004 0.0076
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0262 0.0268
Schistosoma mansoni hypothetical protein 0.0177 0.3193 0.613
Loa Loa (eye worm) RNA binding protein 0.0069 0.1077 0.1077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0262 0.0262
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0676 0.0676
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0165 0.2952 0.2952
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.1077 0.1077
Loa Loa (eye worm) hypothetical protein 0.003 0.0307 0.0307
Schistosoma mansoni survival motor neuron protein 0.0104 0.1764 0.3386
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Brugia malayi nuclear hormone receptor 0.0028 0.0262 0.0262
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0262 0.0262
Trichomonas vaginalis set domain proteins, putative 0.0242 0.4475 0.8453
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0262 0.0262
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0864 0.0864
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1077 0.2068
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0262 0.0268
Trichomonas vaginalis AGC family protein kinase 0.0165 0.2952 0.5245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0262 0.0268
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0307 0.059
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.004 0.0076
Brugia malayi MH2 domain containing protein 0.0248 0.4594 0.4594
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0948 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0201 0.3676 0.3676
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0307 0.059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0307 0.2852
Onchocerca volvulus 0.0028 0.0262 0.001
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0407 0.0407
Schistosoma mansoni smad 0.0017 0.004 0.0076
Loa Loa (eye worm) hypothetical protein 0.0155 0.2771 0.2771
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0262 0.0268
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0355 0.6305
Brugia malayi MH1 domain containing protein 0.0017 0.004 0.004
Echinococcus multilocularis smad 0.0017 0.004 0.004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0262 0.0268
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0262 0.0268
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.0549 0.0561
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0355 0.0362
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.102 0.1042
Schistosoma mansoni hypothetical protein 0.0049 0.0676 0.1298
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.0549 0.1054
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0262 0.0503
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.004 0.004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0262 0.0262
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0355 0.0362
Brugia malayi isocitrate dehydrogenase 0.0033 0.0355 0.0355
Brugia malayi Pre-SET motif family protein 0.0212 0.3896 0.3896
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0023 0.0024
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.0549 0.0184
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0462 0.4399
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0462 0.0472
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0355 0.0362
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0262 0.0268
Schistosoma mansoni hypothetical protein 0.0104 0.1764 0.3386
Brugia malayi MH1 domain containing protein 0.0017 0.004 0.004
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0407 0.7299
Echinococcus multilocularis thyroid hormone receptor alpha 0.0028 0.0262 0.0268
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0549 1
Loa Loa (eye worm) hypothetical protein 0.0511 0.9793 0.9793
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0948 0.1783
Loa Loa (eye worm) hypothetical protein 0.0158 0.2816 0.2816
Echinococcus granulosus short transient receptor potential channel 6 0.0133 0.2332 0.2381
Loa Loa (eye worm) hypothetical protein 0.0028 0.0262 0.0262
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0307 0.0314
Echinococcus multilocularis Smad4 0.0017 0.004 0.004
Echinococcus multilocularis transient receptor potential gamma protein 0.0201 0.3676 0.3754
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0383 1
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.102 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.004 0.004
Schistosoma mansoni inositol monophosphatase 0.0038 0.0462 0.0886
Schistosoma mansoni hypothetical protein 0.0106 0.1801 0.3458
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0522 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0262 0.0262
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0262 0.0503
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0262 0.0268
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0262 0.0268
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.102 0.1959
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.0549 0.0561
Onchocerca volvulus 0.0158 0.2816 0.6066
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1801 0.1801
Brugia malayi intermediate filament protein 0.0028 0.0258 0.0258
Brugia malayi ecdysteroid receptor 0.0028 0.0262 0.0262
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0262 0.001
Brugia malayi Pre-SET motif family protein 0.003 0.0307 0.0307
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0262 0.0262
Trichomonas vaginalis AGC family protein kinase 0.0165 0.2952 0.5245
Schistosoma mansoni lamin 0.0028 0.0258 0.0495
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0676 0.069
Loa Loa (eye worm) hypothetical protein 0.0126 0.22 0.22
Echinococcus granulosus intermediate filament protein 0.0028 0.0258 0.0263
Loa Loa (eye worm) inositol-1 0.0038 0.0462 0.0462
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.0549 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1801 0.1801
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0262 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0262 0.0262

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 79 nM Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay ChEMBL. 21885279
EC50 (functional) > 5400 nM Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay ChEMBL. 21885279
Emax (functional) = 48 % Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase at 10 uM after 18 hrs by beta-lactamase reporter gene assay relative to estradiol ChEMBL. 21885279
Emax (functional) = 107 % Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase at 10 uM after 18 hrs by beta-lactamase reporter gene assay relative to estradiol ChEMBL. 21885279

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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