TDR Targets

Basic information

Technical information

Name: Unnamed compound
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)CCC2[C@@]1(C)CCC1C2CCc2c1ccc(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-/m0/s1
InChiKey: XHMPJHIJBGKUAT-SYSICWMVSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

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

Ranking Plot

Putative Targets List

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

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

ChEMBL: 417357

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 331210