Detailed information for compound 201613

Basic information

Technical information
  • TDR Targets ID: 201613
  • Name: (8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8 ,9,11,12,14,15,16,17-decahydrocyclopenta[a]ph enanthren-17-ol
  • MW: 286.409 | Formula: C19H26O2
  • H donors: 1 H acceptors: 1 LogP: 4.23 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
  • InChi: 1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1
  • InChiKey: ULAADVBNYHGIBP-GFEQUFNTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • estradiol-17 beta-3-methyl ether
  • 1035-77-4
  • 17.beta.-Estradiol 3-methyl ether
  • Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17.beta.)-
  • Estra-1,3,5(10)-trien-17.beta.-ol, 3-methoxy-
  • Estradiol 3-methyl ether
  • NSC58851
  • BB_NC-0102
  • ZINC03881355

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Trichomonas vaginalis esterase, putative 0.0036 0.0658 0.5353
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0658 0.5353
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0024 0.0262 0.2305
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3425 0.3425
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0658 0.5353
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0003 0.0003
Echinococcus granulosus GPCR family 2 0.0016 0.0003 0.0003
Giardia lamblia Cathepsin B precursor 0.005 0.1135 1
Echinococcus multilocularis cysteine protease 0.0027 0.0358 0.0358
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Echinococcus granulosus protein jagged 1 0.0018 0.0075 0.0075
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0073 0.1921 0.2561
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1632 0.1632
Mycobacterium ulcerans beta-lactamase 0.0036 0.0658 0.2388
Loa Loa (eye worm) ctsf protein 0.0027 0.0358 0.0358
Echinococcus multilocularis Tolloid protein 1 0.0048 0.1066 0.1066
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0358 0.0842
Brugia malayi jmjC domain containing protein 0.006 0.1476 0.1968
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Onchocerca volvulus Peroxidasin homolog 0.0078 0.2085 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0658 0.058
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0658 0.058
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0003 0.0003
Brugia malayi RNA, U transporter 1 0.0084 0.227 0.3026
Onchocerca volvulus Peroxidase homolog 0.0078 0.2085 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0358 0.0358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.4039 0.4039
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.1476 0.1476
Entamoeba histolytica cysteine protease, putative 0.0027 0.0358 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0048 0.1066 0.1066
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0658 0.058
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.005 0.1135 0.1135
Echinococcus multilocularis fibropellin Ia 0.0018 0.0075 0.0075
Echinococcus multilocularis cathepsin b 0.0143 0.4248 0.4248
Schistosoma mansoni septate junction protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0027 0.0358 0.0358
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Loa Loa (eye worm) hypothetical protein 0.0048 0.1066 0.1066
Schistosoma mansoni hypothetical protein 0.0314 1 1
Echinococcus granulosus protein jagged 2 0.0018 0.0075 0.0075
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0358 0.0842
Brugia malayi hypothetical protein 0.0239 0.7501 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.045 0.3964
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0864 0.2034
Onchocerca volvulus 0.0027 0.0358 0.1409
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0658 0.7614
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0143 0.4248 0.4248
Schistosoma mansoni lamin 0.0033 0.0556 0.0556
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Echinococcus multilocularis cathepsin b 0.0143 0.4248 0.4248
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0263 0.1513
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Onchocerca volvulus 0.0033 0.0556 0.2397
Loa Loa (eye worm) hypothetical protein 0.0048 0.1066 0.1066
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0658 0.1549
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0358 0.0358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Brugia malayi Peroxidasin 0.0078 0.2085 0.2779
Echinococcus multilocularis protein jagged 1 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0263 0.1513
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0263 0.1513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Schistosoma mansoni cell polarity protein 0.0018 0.0075 0.0075
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.1476 0.1476
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.4039 0.4039
Onchocerca volvulus 0.0078 0.2085 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0027 0.0358 0.4139
Loa Loa (eye worm) hypothetical protein 0.0019 0.0108 0.0108
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0024 0.0262 0.2305
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0003 0.0004
Leishmania major hypothetical protein, conserved 0.0036 0.0658 0.3426
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0658 0.5795
Loa Loa (eye worm) hypothetical protein 0.0032 0.0536 0.0536
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0048 0.1066 0.1066
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Echinococcus granulosus cathepsin b 0.0143 0.4248 0.4248
Brugia malayi Animal haem peroxidase family protein 0.0078 0.2085 0.2779
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Leishmania major cysteine peptidase A (CPA) 0.0027 0.0358 0.1862
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0024 0.0262 0.0262
Schistosoma mansoni hypothetical protein 0.0035 0.063 0.063
Echinococcus granulosus neurogenic locus notch protein 0.0018 0.0075 0.0075
Echinococcus granulosus Tolloid protein 1 0.0048 0.1066 0.1066
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0658 0.5353
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0024 0.0262 0.1363
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1476 0.1476
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.4039 0.4039
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Echinococcus granulosus notch 0.0018 0.0075 0.0075
Treponema pallidum NADH oxidase 0.0024 0.0262 0.5
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Echinococcus multilocularis neurogenic locus notch protein 0.0018 0.0075 0.0075
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Plasmodium falciparum thioredoxin reductase 0.0024 0.0262 0.3029
Brugia malayi intermediate filament protein 0.0033 0.0556 0.0742
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0016 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.4039 0.4039
Schistosoma mansoni egf-like domain protein 0.0048 0.1066 0.1066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.063 0.0839
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Echinococcus multilocularis neurogenic locus protein delta 0.0018 0.0075 0.0075
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0108 0.0108
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Onchocerca volvulus 0.0036 0.0658 0.2903
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0358 0.1409
Onchocerca volvulus 0.0027 0.0358 0.1409
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Brugia malayi Cadherin domain containing protein 0.0018 0.0075 0.0099
Loa Loa (eye worm) fibroinase 0.0027 0.0358 0.0358
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0003 0.0004
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0017 0.005 0.0066
Onchocerca volvulus 0.0036 0.0658 0.2903
Loa Loa (eye worm) cathepsin B 0.005 0.1135 0.1135
Brugia malayi GCC2 and GCC3 family protein 0.0018 0.0075 0.0099
Brugia malayi Muscle positioning protein 4 0.0018 0.0075 0.0099
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Brugia malayi beta-lactamase family protein 0.0036 0.0658 0.0877
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0075 0.0099
Giardia lamblia Cathepsin B precursor 0.005 0.1135 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0358 0.1409
Brugia malayi glutathione reductase 0.0042 0.0864 0.1152
Onchocerca volvulus Chorion peroxidase homolog 0.0078 0.2085 1
Schistosoma mansoni slit 0.0018 0.0075 0.0075
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0075 0.0099
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0658 0.0658
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Toxoplasma gondii NADPH-glutathione reductase 0.0024 0.0262 0.2305
Loa Loa (eye worm) hypothetical protein 0.0051 0.117 0.117
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.7501 0.7501
Entamoeba histolytica hypothetical protein 0.0024 0.0263 0.6227
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.1363
Echinococcus granulosus fibropellin Ia 0.0018 0.0075 0.0075
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0024 0.0262 0.0262
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0358 0.1409
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.4039 0.4039
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0073 0.1921 0.1921
Echinococcus granulosus neural cadherin 0.0018 0.0075 0.0075
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0262 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0024 0.0262 0.1764
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Onchocerca volvulus 0.0033 0.0556 0.2397
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0864 0.0864
Echinococcus multilocularis neurogenic locus notch protein 0.0018 0.0075 0.0075
Trypanosoma brucei trypanothione reductase 0.0042 0.0864 0.761
Loa Loa (eye worm) hypothetical protein 0.0019 0.0108 0.0108
Plasmodium falciparum glutathione reductase 0.0024 0.0262 0.3029
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0024 0.0262 0.3029
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0143 0.4248 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0027 0.0358 0.0358
Brugia malayi Delta serrate ligand family protein 0.0018 0.0075 0.0099
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Onchocerca volvulus 0.0027 0.0358 0.1409
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0864 0.0881
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0262 0.2305
Loa Loa (eye worm) hypothetical protein 0.0033 0.0556 0.0556
Echinococcus granulosus protein jagged 2 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Brugia malayi Cathepsin L-like precursor 0.0019 0.0108 0.0144
Echinococcus multilocularis muscleblind protein 0.0145 0.4336 0.4336
Schistosoma mansoni jumonji domain containing protein 0.006 0.1476 0.1476
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.4248 0.4248
Loa Loa (eye worm) hypothetical protein 0.0048 0.1066 0.1066
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Onchocerca volvulus 0.0049 0.1103 0.5114
Brugia malayi Animal haem peroxidase family protein 0.0078 0.2085 0.2779
Plasmodium falciparum thioredoxin reductase 0.0042 0.0864 1
Brugia malayi Muscleblind-like protein 0.0145 0.4336 0.5781
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0024 0.0262 0.1363
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1103 0.147
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.1921 0.2427
Brugia malayi Importin beta-1 subunit 0.0029 0.045 0.06
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0048 0.1066 0.1421
Echinococcus multilocularis notch 0.0018 0.0075 0.0075
Echinococcus granulosus neurogenic locus notch protein 4 0.0018 0.0075 0.0075
Echinococcus granulosus slit 2 protein 0.0018 0.0075 0.0075
Toxoplasma gondii EGF family domain-containing protein 0.0018 0.0075 0.0656
Brugia malayi notch-like transmembrane receptor 0.0018 0.0075 0.0099
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0658 0.1549
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0049 0.0049
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0027 0.0358 0.0358
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0019 0.0108 0.0254
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0658 0.058
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Toxoplasma gondii ABC1 family protein 0.0036 0.0658 0.5795
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0658 0.058
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0003 0.0003
Onchocerca volvulus 0.0027 0.0358 0.1409
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0358 0.0842
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0658 0.0658
Echinococcus granulosus cathepsin l cysteine peptidase 0.0027 0.0358 0.0358
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0658 0.5353
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0048 0.1066 0.1066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.4039 0.4039
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0358 1
Echinococcus multilocularis musashi 0.0033 0.0556 0.0556
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0024 0.0262 0.3029
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.1921 0.1921
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Brugia malayi Animal haem peroxidase family protein 0.0078 0.2085 0.2779
Echinococcus granulosus delta-like protein 1 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0029 0.045 0.045
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0864 0.0864
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0864 0.0864
Brugia malayi beta-lactamase 0.0036 0.0658 0.0877
Loa Loa (eye worm) hypothetical protein 0.0143 0.4248 0.4248
Echinococcus granulosus protein jagged 1 0.0018 0.0075 0.0075
Echinococcus multilocularis laminin 0.0048 0.1066 0.1066
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0049 0.0065
Onchocerca volvulus Arrow homolog 0.0048 0.1066 0.493
Loa Loa (eye worm) glutathione reductase 0.0042 0.0864 0.0864
Onchocerca volvulus 0.0027 0.0358 0.1409
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Onchocerca volvulus 0.0027 0.0358 0.1409
Echinococcus multilocularis GPCR, family 2 0.0016 0.0003 0.0003
Echinococcus granulosus neurogenic locus notch protein 0.0018 0.0075 0.0075
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0658 0.2388
Toxoplasma gondii thioredoxin reductase 0.0042 0.0864 0.761
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0024 0.0262 0.3029
Plasmodium falciparum glutathione reductase 0.0042 0.0864 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0018 0.0075 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.045 0.3964
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.1921 1
Onchocerca volvulus Peroxidasin homolog 0.0078 0.2085 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0018 0.0075 0.0099
Echinococcus multilocularis snurportin 1 0.0314 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.0616
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0358 0.243
Mycobacterium ulcerans hypothetical protein 0.0036 0.0658 0.2388
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0017 0.005 0.0066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0658 0.0877
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0658 0.058
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0358 0.243
Brugia malayi Cadherin domain containing protein 0.0018 0.0075 0.0099
Brugia malayi Blistered cuticle protein 3 0.0078 0.2085 0.2779
Loa Loa (eye worm) hypothetical protein 0.0019 0.0108 0.0108
Schistosoma mansoni survival motor neuron protein 0.0049 0.1103 0.1103
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0556 0.0556
Echinococcus granulosus neurogenic locus protein delta 0.0018 0.0075 0.0075
Mycobacterium tuberculosis Conserved protein 0.0036 0.0658 0.058
Toxoplasma gondii calcium binding egf domain-containing protein 0.0048 0.1066 0.9384
Echinococcus granulosus laminin 0.0048 0.1066 0.1066
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0358 0.0358
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0003 0.0003
Brugia malayi hypothetical protein 0.0078 0.2085 0.2779
Loa Loa (eye worm) hypothetical protein 0.0145 0.4336 0.4336
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.4039 0.4039
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.005 0.1135 0.5912
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Schistosoma mansoni laminin gamma-3 chain 0.0018 0.0075 0.0075
Onchocerca volvulus 0.0078 0.2085 1
Trichomonas vaginalis glutathione reductase, putative 0.0024 0.0262 0.1496
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0262 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1476 0.1476
Mycobacterium ulcerans lipase LipD 0.0036 0.0658 0.2388
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0658 0.2388
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.045 0.3964
Echinococcus granulosus importin subunit beta 1 0.0029 0.045 0.045
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Onchocerca volvulus 0.0078 0.2085 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0658 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Schistosoma mansoni peroxidasin 0.0078 0.2085 0.2085
Loa Loa (eye worm) hypothetical protein 0.0035 0.063 0.063
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.1476 0.1476
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0556 0.0556
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Trypanosoma brucei cysteine peptidase C (CPC) 0.005 0.1135 1
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.2085 0.2085
Schistosoma mansoni peroxidasin 0.0078 0.2085 0.2085
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.117 0.1559
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.2085 0.2085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.117 0.1559
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0262 0.2305
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Echinococcus multilocularis cysteine protease 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0048 0.1066 0.1066
Echinococcus multilocularis fibrillin 1 0.0048 0.1066 0.1066
Echinococcus multilocularis fat cadherin tumor suppressor 0.0018 0.0075 0.0075
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0262 0.1363
Schistosoma mansoni intermediate filament proteins 0.0033 0.0556 0.0556
Echinococcus multilocularis protein jagged 1 0.0018 0.0075 0.0075
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0027 0.0358 0.4139
Echinococcus granulosus lamin 0.0033 0.0556 0.0556
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0024 0.0262 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0658 0.0658
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.4039 0.5385
Echinococcus multilocularis cathepsin L cysteine protease 0.0027 0.0358 0.0358
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Leishmania major importin beta-1 subunit, putative 0.0024 0.0263 0.1372
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0358 0.0842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.2085 0.2085
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0024 0.0262 0.0262
Onchocerca volvulus Dual oxidase homolog 0.0078 0.2085 1
Toxoplasma gondii cathepsin CPL 0.0027 0.0358 0.315
Loa Loa (eye worm) hypothetical protein 0.0239 0.7501 0.7501
Trichomonas vaginalis mercuric reductase, putative 0.0024 0.0262 0.1496
Echinococcus multilocularis slit 2 protein 0.0018 0.0075 0.0075
Echinococcus multilocularis neurogenic locus protein delta 0.0018 0.0075 0.0075
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.005 0.1135 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0078 0.2085 0.2085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Onchocerca volvulus 0.0027 0.0358 0.1409
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Leishmania major trypanothione reductase 0.0042 0.0864 0.4499
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.4039 0.4039
Loa Loa (eye worm) Notch2 0.0018 0.0075 0.0075
Echinococcus granulosus lamin dm0 0.0033 0.0556 0.0556
Trypanosoma cruzi trypanothione reductase, putative 0.0024 0.0262 0.0616
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.1476 0.1476
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0024 0.0262 0.3029
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.1921 0.1921
Brugia malayi EGF-like domain containing protein 0.0018 0.0075 0.0099
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Echinococcus multilocularis protein jagged 2 0.0018 0.0075 0.0075
Echinococcus granulosus cathepsin l1 0.0019 0.0108 0.0108
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0658 0.0658
Brugia malayi Animal haem peroxidase family protein 0.0078 0.2085 0.2779
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Plasmodium vivax glutathione reductase, putative 0.0042 0.0864 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Brugia malayi Cathepsin L-like precursor 0.0019 0.0108 0.0144
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.4248 0.4248
Echinococcus multilocularis lamin 0.0033 0.0556 0.0556
Schistosoma mansoni importin beta-1 0.0029 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Mycobacterium tuberculosis Conserved protein 0.0036 0.0658 0.058
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0024 0.0262 0.2305
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0358 0.243
Brugia malayi Animal haem peroxidase family protein 0.0078 0.2085 0.2779
Echinococcus granulosus muscleblind protein 0.0145 0.4336 0.4336
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0658 0.058
Plasmodium vivax importin-beta 2, putative 0.0029 0.045 0.5209
Onchocerca volvulus 0.0019 0.0108 0.0167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0658 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0658 0.0658
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0263 0.062
Loa Loa (eye worm) cysteine protease 0.0027 0.0358 0.0358
Brugia malayi Fibulin-1 precursor 0.0048 0.1066 0.1421
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.7097 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.117 0.117
Echinococcus granulosus cathepsin l1 0.0027 0.0358 0.0358
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0262 0.0616
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.2085 0.2085
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0048 0.1066 0.1066
Brugia malayi Thioredoxin reductase 0.0042 0.0864 0.1152
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.7501 0.7501
Plasmodium falciparum importin beta, putative 0.0029 0.045 0.5209
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0658 0.058
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Plasmodium vivax vivapain-2 0.0027 0.0358 0.4139
Toxoplasma gondii calcium binding egf domain-containing protein 0.0048 0.1066 0.9384
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0262 0.0616
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0864 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Echinococcus granulosus peroxidasin 0.0078 0.2085 0.2085
Echinococcus multilocularis neurogenic locus notch protein 4 0.0018 0.0075 0.0075
Brugia malayi cathepsin B-like cysteine proteinase 0.0143 0.4248 0.5663
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.1921 1
Onchocerca volvulus Peroxidase homolog 0.0078 0.2085 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0027 0.0358 0.4139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Brugia malayi jmjC domain containing protein 0.006 0.1476 0.1968
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0658 0.5353
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0024 0.0262 0.0349
Schistosoma mansoni hypothetical protein 0.0018 0.0075 0.0075
Echinococcus multilocularis peroxidasin 0.0078 0.2085 0.2085
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0556 0.0742
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.005 0.1135 0.2673
Schistosoma mansoni hypothetical protein 0.0016 0.0003 0.0003
Brugia malayi MH2 domain containing protein 0.0118 0.3425 0.4566
Plasmodium vivax vivapain-2 0.0027 0.0358 0.4139
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3425 0.3425
Loa Loa (eye worm) hypothetical protein 0.0145 0.4336 0.4336
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Echinococcus granulosus cathepsin b 0.0143 0.4248 0.4248
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Echinococcus multilocularis neural cadherin 0.0018 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Brugia malayi Calcium binding EGF domain containing protein 0.0048 0.1066 0.1421
Schistosoma mansoni lamin 0.0033 0.0556 0.0556
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0049 0.1103 0.1103
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0027 0.0358 0.0358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0036 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Toxoplasma gondii cathepsin B 0.005 0.1135 1
Brugia malayi Calcium binding EGF domain containing protein 0.0018 0.0075 0.0099
Loa Loa (eye worm) hypothetical protein 0.0048 0.1066 0.1066
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.0108 0.0144
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Schistosoma mansoni notch 0.0018 0.0075 0.0075
Echinococcus granulosus intermediate filament protein 0.0033 0.0556 0.0556
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0358 0.0477
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0358 0.315
Echinococcus multilocularis importin subunit beta 1 0.0029 0.045 0.045
Onchocerca volvulus 0.0036 0.0658 0.2903
Giardia lamblia Cathepsin B precursor 0.005 0.1135 1
Leishmania major cathepsin L-like protease 0.0027 0.0358 0.1862
Brugia malayi cathepsin L-like precursor 0.0019 0.0108 0.0144
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.0358 0.0842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0658 0.0658
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1476 0.1476
Echinococcus multilocularis muscleblind protein 1 0.0145 0.4336 0.4336
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.4248 0.4248
Echinococcus multilocularis lamin dm0 0.0033 0.0556 0.0556
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0073 0.1921 1
Loa Loa (eye worm) notch protein 0.0018 0.0075 0.0075
Brugia malayi Cathepsin L-like precursor 0.0027 0.0358 0.0477
Brugia malayi beta-lactamase family protein 0.0036 0.0658 0.0877
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0358 0.243
Loa Loa (eye worm) hypothetical protein 0.0078 0.2085 0.2085

Activities

Activity type Activity value Assay description Source Reference
HTS data (functional) = 76 Percent change in 17-beta-estradiol mediated transcriptional activation in CHO cells expressing human estrogen receptor alpha at 10e-7 M ChEMBL. 12877579
HTS data (functional) = 76 Percent change in 17-beta-estradiol mediated transcriptional activation in CHO cells expressing human estrogen receptor alpha at 10e-7 M ChEMBL. 12877579
Inhibition (ADMET) = 110.0090562 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 137.4036698 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
RBA (binding) = 3 Displacement of [3H]-estradiol from estrogen receptor in rat uterine cytosol at 10'-5 to 10'-10 M after 16 hrs relative to estradiol ChEMBL. 536996

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

2 literature references were collected for this gene.

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