Detailed information for compound 1467435

Basic information

Technical information
  • TDR Targets ID: 1467435
  • Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-(4-me thylphenyl)ethenyl]-7,8,9,11,12,14,15,16-octa hydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  • MW: 388.542 | Formula: C27H32O2
  • H donors: 2 H acceptors: 2 LogP: 6.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O
  • InChi: 1S/C27H32O2/c1-18-3-5-19(6-4-18)11-15-27(29)16-13-25-24-9-7-20-17-21(28)8-10-22(20)23(24)12-14-26(25,27)2/h3-6,8,10-11,15,17,23-25,28-29H,7,9,12-14,16H2,1-2H3/b15-11-/t23-,24-,25+,26+,27+/m1/s1
  • InChiKey: XHMPJHIJBGKUAT-JYERZOKYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-(4-methylphenyl)vinyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0814 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0441 0.5274 0.5271
Echinococcus granulosus intermediate filament protein 0.0054 0.0372 0.0352
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0372 0.0364
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.0195
Schistosoma mansoni cathepsin F (C01 family) 0.0027 0.0034 0.0034
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Onchocerca volvulus 0.004 0.0203 0.2893
Plasmodium falciparum cysteine proteinase falcipain 2b 0.004 0.0203 0.0324
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0814 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.04 0.4764 0.4754
Leishmania major cathepsin L-like protease 0.0089 0.0817 0.0787
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Leishmania major malate dehydrogenase 0.0195 0.2169 0.2144
Schistosoma mansoni malate dehydrogenase 0.0202 0.2255 0.2255
Loa Loa (eye worm) hypothetical protein 0.0055 0.0383 0.0376
Loa Loa (eye worm) hypothetical protein 0.0441 0.5274 0.5271
Plasmodium falciparum lactate dehydrogenase, putative 0.0178 0.1942 0.3642
Schistosoma mansoni L-lactate dehydrogenase 0.0178 0.1942 0.1942
Echinococcus granulosus L lactate dehydrogenase 0.0223 0.2515 0.25
Echinococcus granulosus L lactate dehydrogenase B chain 0.04 0.4764 0.4754
Loa Loa (eye worm) ctsf protein 0.004 0.0203 0.0195
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0057 0.0024
Loa Loa (eye worm) hypothetical protein 0.0073 0.0617 0.0609
Toxoplasma gondii hypothetical protein 0.0441 0.5274 1
Plasmodium vivax vivapain-2 0.004 0.0203 0.0359
Loa Loa (eye worm) hypothetical protein 0.04 0.4764 0.476
Echinococcus multilocularis malate dehydrogenase 0.0195 0.2169 0.2153
Echinococcus granulosus lactate dehydrogenase a 0.04 0.4764 0.4754
Loa Loa (eye worm) hypothetical protein 0.0026 0.0021 0.0012
Echinococcus multilocularis lactate dehydrogenase a 0.04 0.4764 0.4754
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0033 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.004 0.0203 0.0766
Leishmania major cysteine peptidase A (CPA) 0.004 0.0203 0.0171
Echinococcus multilocularis carbonic anhydrase II 0.0814 1 1
Schistosoma mansoni hypothetical protein 0.0441 0.5274 0.5274
Brugia malayi Cathepsin L-like precursor 0.0027 0.0034 0.0001
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Echinococcus granulosus cathepsin l1 0.0027 0.0034 0.0014
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0195 0.2169 0.2144
Echinococcus multilocularis cysteine protease 0.004 0.0203 0.0183
Entamoeba histolytica cysteine proteinase, putative 0.004 0.0203 0.0359
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0202 0.2255 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.004 0.0203 0.0766
Schistosoma mansoni malate dehydrogenase 0.0195 0.2169 0.2169
Leishmania major cathepsin L-like protease 0.004 0.0203 0.0171
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0202 0.2255 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0178 0.1942 0.1915
Entamoeba histolytica malate dehydrogenase, putative 0.0202 0.2255 0.4696
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.0617 0.1249
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0202 0.2255 0.2239
Onchocerca volvulus 0.004 0.0203 0.2893
Toxoplasma gondii lactate dehydrogenase LDH1 0.04 0.4764 0.9027
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0814 1 1
Echinococcus multilocularis carbonic anhydrase 0.0441 0.5274 0.5265
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Echinococcus granulosus carbonic anhydrase 0.0441 0.5274 0.5265
Leishmania major mitochondrial malate dehydrogenase 0.0195 0.2169 0.2144
Loa Loa (eye worm) papain family cysteine protease containing protein 0.004 0.0203 0.0195
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0034 0.0007
Trypanosoma brucei malate dehydrogenase-related 0.0178 0.1942 0.1915
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Toxoplasma gondii cathepsin CPL 0.004 0.0203 0.0324
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.0617 0.1249
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.0617 0.1249
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Trypanosoma cruzi cysteine peptidase, putative 0.0089 0.0817 0.0787
Loa Loa (eye worm) hypothetical protein 0.0053 0.036 0.0352
Onchocerca volvulus Cathepsin L homolog 0.004 0.0203 0.2893
Chlamydia trachomatis malate dehydrogenase 0.0202 0.2255 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0814 1 1
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0617 0.0586
Entamoeba histolytica malate dehydrogenase, putative 0.04 0.4764 1
Trypanosoma cruzi cysteine peptidase, putative 0.004 0.0203 0.0171
Schistosoma mansoni L-lactate dehydrogenase 0.04 0.4764 0.4764
Entamoeba histolytica cysteine proteinase, putative 0.0027 0.0034 0.0003
Brugia malayi Cathepsin L-like cysteine proteinase 0.0027 0.0034 0.0001
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Leishmania major cathepsin L-like protease 0.004 0.0203 0.0171
Leishmania major carbonic anhydrase-like protein 0.0814 1 1
Echinococcus granulosus lactate dehydrogenase protein 0.04 0.4764 0.4754
Schistosoma mansoni carbonic anhydrase-related 0.0441 0.5274 0.5274
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0075 0.0648 0.0618
Onchocerca volvulus 0.004 0.0203 0.2893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Loa Loa (eye worm) malate dehydrogenase 0.0195 0.2169 0.2163
Brugia malayi Papain family cysteine protease containing protein 0.004 0.0203 0.0171
Echinococcus granulosus cathepsin L cysteine proteinase 0.004 0.0203 0.0183
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Brugia malayi cathepsin L-like precursor 0.0027 0.0034 0.0001
Schistosoma mansoni malate dehydrogenase 0.0202 0.2255 0.2255
Echinococcus granulosus cathepsin l cysteine peptidase 0.004 0.0203 0.0183
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Mycobacterium ulcerans hypothetical protein 0.0073 0.0617 0.1249
Brugia malayi lactate dehydrogenase. 0.04 0.4764 0.4747
Leishmania major cathepsin L-like protease 0.004 0.0203 0.0171
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.004 0.0203 0.0195
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Echinococcus multilocularis carbonic anhydrase 0.0441 0.5274 0.5265
Echinococcus multilocularis lamin dm0 0.0054 0.0372 0.0352
Loa Loa (eye worm) malate dehydrogenase 0.0202 0.2255 0.2248
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.0617 0.1422
Echinococcus granulosus malate dehydrogenase 0.0195 0.2169 0.2153
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Entamoeba histolytica cysteine proteinase, putative 0.004 0.0203 0.0359
Echinococcus multilocularis cathepsin l cysteine peptidase 0.004 0.0203 0.0183
Schistosoma mansoni intermediate filament proteins 0.0054 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Loa Loa (eye worm) hypothetical protein 0.0055 0.0383 0.0376
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Echinococcus multilocularis lamin 0.0054 0.0372 0.0352
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0178 0.1942 0.4035
Echinococcus granulosus lamin dm0 0.0054 0.0372 0.0352
Plasmodium falciparum cysteine proteinase falcipain 2a 0.004 0.0203 0.0324
Entamoeba histolytica cysteine protease, putative 0.004 0.0203 0.0359
Echinococcus granulosus lactate dehydrogenase a 0.04 0.4764 0.4754
Onchocerca volvulus 0.004 0.0203 0.2893
Trypanosoma cruzi cysteine peptidase, putative 0.0089 0.0817 0.0787
Onchocerca volvulus 0.0054 0.0372 0.5797
Trichomonas vaginalis malate dehydrogenase, putative 0.0086 0.0788 0.3401
Echinococcus multilocularis lactate dehydrogenase protein 0.04 0.4764 0.4754
Echinococcus multilocularis malate dehydrogenase 0.0195 0.2169 0.2153
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0441 0.5274 0.5259
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0202 0.2255 0.2229
Echinococcus multilocularis carbonic anhydrase 0.0441 0.5274 0.5265
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0814 1 1
Leishmania major glycosomal malate dehydrogenase 0.0195 0.2169 0.2144
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0372 0.0341
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0195 0.2169 0.2144
Loa Loa (eye worm) fibroinase 0.004 0.0203 0.0195
Schistosoma mansoni lamin 0.0054 0.0372 0.0372
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Schistosoma mansoni malate dehydrogenase 0.04 0.4764 0.4764
Mycobacterium ulcerans malate dehydrogenase 0.0202 0.2255 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0202 0.2255 1
Onchocerca volvulus 0.004 0.0203 0.2893
Leishmania major cathepsin L-like protease 0.0089 0.0817 0.0787
Leishmania major malate dehydrogenase, putative 0.04 0.4764 0.4747
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Leishmania major cathepsin L-like protease 0.0089 0.0817 0.0787
Brugia malayi intermediate filament protein 0.0054 0.0372 0.0341
Loa Loa (eye worm) hypothetical protein 0.0073 0.0617 0.0609
Giardia lamblia Malate dehydrogenase 0.0202 0.2255 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0033 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Plasmodium vivax malate dehydrogenase, putative 0.04 0.4764 1
Echinococcus multilocularis lactate dehydrogenase a 0.04 0.4764 0.4754
Loa Loa (eye worm) hypothetical protein 0.0441 0.5274 0.5271
Brugia malayi Cathepsin L-like precursor 0.0027 0.0034 0.0001
Echinococcus granulosus cytosolic malate dehydrogenase 0.0202 0.2255 0.2239
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0202 0.2255 0.4696
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Echinococcus granulosus malate dehydrogenase 0.0195 0.2169 0.2153
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0202 0.2255 0.2239
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.04 0.4764 0.5
Echinococcus granulosus carbonic anhydrase 0.0441 0.5274 0.5265
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0202 0.2255 1
Trypanosoma cruzi cysteine peptidase, putative 0.0089 0.0817 0.0787
Schistosoma mansoni cathepsin F (C01 family) 0.004 0.0203 0.0203
Leishmania major malate dehydrogenase, putative 0.0178 0.1942 0.1915
Echinococcus granulosus lamin 0.0054 0.0372 0.0352
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0202 0.2255 1
Echinococcus granulosus cathepsin l1 0.004 0.0203 0.0183
Onchocerca volvulus 0.004 0.0203 0.2893
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0057 0.0049
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0383 0.0198
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Plasmodium falciparum cysteine proteinase falcipain 3 0.004 0.0203 0.0324
Trypanosoma brucei glycosomal malate dehydrogenase 0.0195 0.2169 0.2144
Echinococcus multilocularis musashi 0.0054 0.0372 0.0352
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.0617 0.1235
Onchocerca volvulus 0.0054 0.0372 0.5797
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Echinococcus multilocularis cathepsin l cysteine peptidase 0.004 0.0203 0.0183
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0441 0.5274 0.5259
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0617 0.1249
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.0383 0.0669
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.0383 0.0741
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Plasmodium falciparum carbonic anhydrase 0.0441 0.5274 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0372 0.0364
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trypanosoma cruzi cruzipain precursor, putative 0.0089 0.0817 0.0787
Echinococcus granulosus flap endonuclease 1 0.0027 0.0033 0.0012
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0814 1 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0202 0.2255 0.2229
Onchocerca volvulus Cathepsin F homolog 0.004 0.0203 0.2893
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0617 0.0586
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0195 0.2169 0.2144
Onchocerca volvulus Cathepsin L homolog 0.004 0.0203 0.2893
Schistosoma mansoni carbonic anhydrase-related 0.0441 0.5274 0.5274
Loa Loa (eye worm) hypothetical protein 0.0055 0.0383 0.0376
Loa Loa (eye worm) hypothetical protein 0.0055 0.0383 0.0376
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.0617 0.1235
Loa Loa (eye worm) hypothetical protein 0.0055 0.0383 0.0376
Trypanosoma cruzi malate dehydrogenase, putative 0.0195 0.2169 0.2144
Leishmania major cytosolic malate dehydrogenase 0.0202 0.2255 0.2229
Plasmodium falciparum L-lactate dehydrogenase 0.04 0.4764 0.9027
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0617 0.1249
Plasmodium vivax lactate dehydrogenase 0.04 0.4764 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0617 0.0586
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0026
Trichomonas vaginalis malate dehydrogenase, putative 0.0111 0.1101 0.4809
Echinococcus multilocularis L lactate dehydrogenase 0.0223 0.2515 0.25
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Echinococcus granulosus carbonic anhydrase II 0.0814 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0089 0.0817 0.0787
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0814 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.004 0.0203 0.0766
Loa Loa (eye worm) carbonic anhydrase 3 0.0814 1 1
Plasmodium vivax vivapain-2 0.004 0.0203 0.0359
Schistosoma mansoni lamin 0.0054 0.0372 0.0372
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0617 0.0586
Toxoplasma gondii lactate dehydrogenase LDH2 0.04 0.4764 0.9027
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0195 0.2169 0.2144
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0441 0.5274 0.5259
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0202 0.2255 1
Loa Loa (eye worm) cysteine protease 0.004 0.0203 0.0195
Schistosoma mansoni carbonic anhydrase 0.0441 0.5274 0.5274
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.0617 0.1235
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0372 0.0364
Echinococcus multilocularis cysteine protease 0.004 0.0203 0.0183
Leishmania major cathepsin L-like protease 0.004 0.0203 0.0171
Loa Loa (eye worm) hypothetical protein 0.0441 0.5274 0.5271
Trichomonas vaginalis malate dehydrogenase, putative 0.0178 0.1942 0.8592
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0195 0.2169 0.2144
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Schistosoma mansoni carbonic anhydrase-related 0.0441 0.5274 0.5274
Echinococcus granulosus carbonic anhydrase 0.0441 0.5274 0.5265
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trypanosoma brucei cytosolic malate dehydrogenase 0.0202 0.2255 0.2229
Onchocerca volvulus 0.0073 0.0617 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.0617 0.0586
Echinococcus granulosus cytosolic malate dehydrogenase 0.0202 0.2255 0.2239
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0441 0.5274 0.5259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.0617 0.1422
Echinococcus multilocularis cathepsin L cysteine protease 0.004 0.0203 0.0183
Leishmania major cathepsin L-like protease 0.004 0.0203 0.0171
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0617 0.1249
Schistosoma mansoni cathepsin F (C01 family) 0.004 0.0203 0.0203
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0034 0.0007
Trichomonas vaginalis malate dehydrogenase, putative 0.0202 0.2255 1
Onchocerca volvulus 0.004 0.0203 0.2893
Brugia malayi Cathepsin L-like precursor 0.004 0.0203 0.0171
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0401 0.037
Echinococcus multilocularis cathepsin L cysteine protease 0.004 0.0203 0.0183
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0202 0.2255 0.2229
Loa Loa (eye worm) hypothetical protein 0.0073 0.0617 0.0609
Plasmodium falciparum malate dehydrogenase 0.04 0.4764 0.9027
Echinococcus multilocularis lactate dehydrogenase a 0.04 0.4764 0.4754
Loa Loa (eye worm) hypothetical protein 0.0027 0.0034 0.0026
Brugia malayi AMP-binding enzyme family protein 0.0073 0.0617 0.0586
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.0617 0.1249
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0441 0.5274 0.5259
Toxoplasma gondii malate dehydrogenase MDH 0.04 0.4764 0.9027
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.004 0.0203 0.0766

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 4.2 nM Effective dose of Z-isomer in rat uterotrophic growth assay compared to 10 nmol estradiol ChEMBL. 15974584
ED50 (functional) = 5.5 nM Effective dose of E-isomer in rat uterotrophic growth assay compared to 10 nmol estradiol ChEMBL. 15974584
RBA (binding) = 9 % Relative binding affinity of Z isomers to human ERalpha-HBD at 25 degree C compared to [3H]-estradiol ChEMBL. 15974584
RBA (binding) = 10 % Relative binding affinity of Z isomers to human ERalpha-HBD at 4C compared to [3H]-estradiol ChEMBL. 15974584
RBA (binding) = 10 % Relative binding affinity of E isomers to human ERalpha-HBD at 4C compared to [3H]-estradiol ChEMBL. 15974584
RBA (binding) = 18 % Relative binding affinity of E isomers to human ERalpha-HBD at 25 degree C compared to [3H]-estradiol ChEMBL. 15974584

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.