TDR Targets

Basic information

Technical information

TDR Targets ID: 443340
Name: (2R)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan -2-ylphenoxy)phenyl]acetyl]amino]-3-methylbut anoic acid
MW: 543.246 | Formula: C22H25Br2NO5
H donors: 3 H acceptors: 4 LogP: 5.78 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N[C@@H](C(=O)O)C(C)C)Cc1cc(Br)c(c(c1)Br)Oc1ccc(c(c1)C(C)C)O
InChi: 1S/C22H25Br2NO5/c1-11(2)15-10-14(5-6-18(15)26)30-21-16(23)7-13(8-17(21)24)9-19(27)25-20(12(3)4)22(28)29/h5-8,10-12,20,26H,9H2,1-4H3,(H,25,27)(H,28,29)/t20-/m1/s1
InChiKey: QDOUMGDWMBUGEC-HXUWFJFHSA-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

(2R)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-3-methyl-butanoic acid
(2R)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]-1-oxoethyl]amino]-3-methylbutanoic acid
(2R)-2-[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-yl-phenoxy)phenyl]ethanoylamino]-3-methyl-butanoic acid
(2R)-2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]amino]-3-methyl-butyric acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	References
Homo sapiens	thyroid hormone receptor, alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_156853	All targets in OG5_156853
Loa Loa (eye worm)	nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, alpha	451 aa	372 aa	25.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0162	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0162	0.0332
Schistosoma mansoni	hypothetical protein	0.0046	0.027	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0083	0.017
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.0215	0.0197
Entamoeba histolytica	hypothetical protein	0.0041	0.0214	0.2239
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0215	0.4437
Trypanosoma cruzi	cyclin, putative	0.0048	0.0292	0.6182
Onchocerca volvulus		0.0493	0.4892	1
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0288	0.0364
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0048	0.0292	0.0597
Trypanosoma brucei	wee1-like protein kinase	0.0065	0.0461	1
Brugia malayi	hypothetical protein	0.0041	0.0214	0.0438
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.0215	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Onchocerca volvulus	Peroxidase homolog	0.0493	0.4892	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.0964	0.1971
Schistosoma mansoni	RAR-like nuclear receptor	0.0036	0.0163	0.0206
Brugia malayi	Animal haem peroxidase family protein	0.0493	0.4892	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0114	0.0967	0.1223
Brugia malayi	steroid hormone receptor	0.0036	0.0163	0.0332
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0162	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0036	0.0163	0.0332
Echinococcus multilocularis	expressed conserved protein	0.0105	0.0879	0.0942
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0215	0.0197
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0036	0.0163	0.0332
Trypanosoma cruzi	cyclin, putative	0.0048	0.0292	0.6182
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0018	0.0625
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0065	0.0461	1
Echinococcus granulosus	peroxidasin	0.0493	0.4892	0.6185
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0964	0.1971
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0288	0.0288
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0215	0.0215
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.1364	0.1724
Loa Loa (eye worm)	animal heme peroxidase	0.0493	0.4892	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0036	0.0163	0.0206
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0307	0.2966	0.6063
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0018	0.002
Trichomonas vaginalis	cyclin A, putative	0.0048	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0018	0.0037
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0215	0.0272
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0018	0.0023
Echinococcus granulosus	dna polymerase eta	0.0022	0.0018	0.0023
Schistosoma mansoni	peroxidasin	0.0493	0.4892	0.6185
Loa Loa (eye worm)	animal heme peroxidase	0.0493	0.4892	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0036	0.0163	0.0332
Schistosoma mansoni	hypothetical protein	0.0193	0.1785	0.2256
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Brugia malayi	hypothetical protein	0.0029	0.0088	0.0179
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0018	0.002
Onchocerca volvulus		0.0041	0.0215	0.011
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0922	0.933	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0112	0.0949	0.9914
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0365	0.3572	0.356
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.0215	0.0197
Brugia malayi	beta-lactamase family protein	0.0041	0.0215	0.0439
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.0964	0.1971
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0018	0.0037
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0215	0.0215
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0036	0.0163	0.0332
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0162	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0036	0.0163	0.0206
Trichomonas vaginalis	cyclin B, putative	0.0048	0.0292	0.0292
Schistosoma mansoni	hypothetical protein	0.0193	0.1785	0.2256
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0018	0.0037
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0018	0.0018
Echinococcus multilocularis	ecdysone induced protein 78C	0.0036	0.0163	0.0174
Brugia malayi	Animal haem peroxidase family protein	0.0493	0.4892	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0048	0.0292	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0593	0.1212
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0036	0.0163	0.0332
Brugia malayi	beta-lactamase family protein	0.0041	0.0215	0.0439
Echinococcus granulosus	microtubule associated protein 2	0.0785	0.7909	1
Trichomonas vaginalis	cyclin B, putative	0.0048	0.0292	0.0292
Entamoeba histolytica	heat shock transcription factor, putative	0.0113	0.0958	1
Trichomonas vaginalis	cyclins, putative	0.0048	0.0292	0.0292
Schistosoma mansoni	thyroid hormone receptor	0.0188	0.1735	0.2194
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0215	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0292	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Onchocerca volvulus		0.0344	0.3346	0.6732
Loa Loa (eye worm)	hypothetical protein	0.0305	0.2945	0.602
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0065	0.0461	0.0444
Echinococcus multilocularis	microtubule associated protein 2	0.0785	0.7909	0.8477
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0288	0.0589
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0162	0.0174
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0215	0.4437
Brugia malayi	Nuclear hormone receptor-like 1	0.0324	0.3141	0.6421
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0018	0.0023
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0163	0.0174
Brugia malayi	ecdysteroid receptor	0.0036	0.0163	0.0332
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0018	0.002
Trichomonas vaginalis	cyclins, putative	0.0048	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0048	0.0292	0.6182
Loa Loa (eye worm)	blistered cuticle protein 3	0.0493	0.4892	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0214	0.2239
Schistosoma mansoni	hypothetical protein	0.0152	0.1364	0.1724
Loa Loa (eye worm)	animal heme peroxidase	0.0493	0.4892	1
Leishmania major	cyclin	0.0048	0.0292	0.0274
Brugia malayi	Animal haem peroxidase family protein	0.0493	0.4892	1
Leishmania major	hypothetical protein, conserved	0.0029	0.0088	0.007
Echinococcus multilocularis	peroxidasin	0.0493	0.4892	0.5243
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0065	0.0461	0.0444
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0088	0.1569
Entamoeba histolytica	heat shock transcription factor, putative	0.0113	0.0958	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0036	0.0163	0.0332
Brugia malayi	Animal haem peroxidase family protein	0.0493	0.4892	1
Brugia malayi	MH2 domain containing protein	0.0136	0.1196	0.2444
Wolbachia endosymbiont of Brugia malayi	trans-2-enoyl-ACP reductase, FabK	0.0987	1	1
Echinococcus granulosus	cyclin B	0.0048	0.0292	0.0369
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0036	0.0163	0.0206
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.0964	0.1971
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0088	0.1569
Schistosoma mansoni	hypothetical protein	0.0078	0.0593	0.075
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0214	0.0271
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0036	0.0163	0.0206
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0036	0.0163	0.0206
Onchocerca volvulus		0.0041	0.0215	0.011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0163	0.0206
Brugia malayi	Nuclear hormone receptor-like 1	0.0307	0.2966	0.6063
Trichomonas vaginalis	cyclin B, putative	0.0048	0.0292	0.0292
Entamoeba histolytica	cyclin, putative	0.0048	0.0292	0.305
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0358	0.0384
Brugia malayi	nuclear hormone receptor	0.0036	0.0163	0.0332
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0036	0.0163	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Toxoplasma gondii	ABC1 family protein	0.0041	0.0215	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0163	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0162	0.0174
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.1196	0.2444
Brugia malayi	Nuclear hormone receptor-like 1	0.0307	0.2966	0.6063
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0958	0.1957
Entamoeba histolytica	hypothetical protein	0.0041	0.0214	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Brugia malayi	Blistered cuticle protein 3	0.0493	0.4892	1
Echinococcus granulosus	X box binding protein 1	0.0328	0.318	0.4021
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0113	0.0958	0.1681
Giardia lamblia	G2/mitotic-specific cyclin B	0.0048	0.0292	1
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0215	0.0197
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0036	0.0163	0.0174
Onchocerca volvulus	Chorion peroxidase homolog	0.0493	0.4892	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0214	0.023
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0949	0.1941
Schistosoma mansoni	microtubule-associated protein tau	0.0785	0.7909	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0365	0.3572	0.356
Schistosoma mansoni	hypothetical protein	0.0046	0.027	0.0342
Mycobacterium ulcerans	hypothetical protein	0.0987	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0288	0.0364
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0036	0.0163	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Schistosoma mansoni	hypothetical protein	0.0046	0.027	0.0342
Trichomonas vaginalis	2-nitropropane dioxygenase precursor, putative	0.0987	1	1
Brugia malayi	beta-lactamase	0.0041	0.0215	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0163	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Echinococcus granulosus	expressed conserved protein	0.0105	0.0879	0.1112
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0036	0.0163	0.0332
Brugia malayi	hypothetical protein	0.0493	0.4892	1
Echinococcus granulosus	Niemann Pick C1 protein	0.016	0.1446	0.1829
Echinococcus granulosus	GPCR family 2	0.0036	0.0162	0.0205
Onchocerca volvulus	Peroxidasin homolog	0.0493	0.4892	1
Schistosoma mansoni	hypothetical protein	0.0328	0.318	0.4021
Schistosoma mansoni	hypothetical protein	0.0041	0.0214	0.0271
Echinococcus multilocularis	Niemann Pick C1 protein	0.016	0.1446	0.155
Echinococcus granulosus	Niemann Pick C1 protein	0.0112	0.0949	0.12
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0163	0.0332
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0188	0.1735	0.186
Onchocerca volvulus	Dual oxidase homolog	0.0493	0.4892	1
Brugia malayi	Steroid receptor seven-up type 2	0.0036	0.0163	0.0332
Echinococcus granulosus	FTZ F1 alpha	0.0036	0.0163	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0036	0.0163	0.0332
Schistosoma mansoni	hypothetical protein	0.0036	0.0162	0.0205
Schistosoma mansoni	nuclear hormone receptor	0.0036	0.0163	0.0206
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0036	0.0163	0.0206
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0018	0.0023
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0262	0.2497	0.2483
Mycobacterium tuberculosis	Possible oxidoreductase	0.0987	1	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0288	0.0589
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0036	0.0163	0.0332
Echinococcus granulosus	geminin	0.0193	0.1785	0.2256
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0036	0.0163	0.0206
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0215	0.0439
Onchocerca volvulus		0.0493	0.4892	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0215	0.0439
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0215	0.0197
Trichomonas vaginalis	cyclins, putative	0.0033	0.0134	0.0134
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0215	0.0197
Schistosoma mansoni	patched 1	0.0048	0.0288	0.0364
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0036	0.0163	0.0206
Schistosoma mansoni	hypothetical protein	0.0046	0.027	0.0342
Echinococcus granulosus	ecdysone induced protein 78C	0.0036	0.0163	0.0206
Brugia malayi	latrophilin 2 splice variant baaae	0.0078	0.0593	0.1212
Mycobacterium ulcerans	lipase LipD	0.0041	0.0215	0.0197
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.1364	0.1462
Onchocerca volvulus		0.0041	0.0215	0.011
Echinococcus multilocularis	cyclin B	0.0048	0.0292	0.0313
Brugia malayi	CHE-14 protein	0.0048	0.0288	0.0589
Mycobacterium tuberculosis	Conserved protein	0.0365	0.3572	0.356
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0215	0.023
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0215	0.0197
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0036	0.0163	0.0174
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0065	0.0461	1
Schistosoma mansoni	thyroid hormone receptor	0.0188	0.1735	0.2194
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0036	0.0163	0.0332
Echinococcus multilocularis	protein patched	0.0048	0.0288	0.0309
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0088	1
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Onchocerca volvulus	Peroxidasin homolog	0.0493	0.4892	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0215	0.0215
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0163	0.0206
Echinococcus multilocularis	geminin	0.0193	0.1785	0.1913
Loa Loa (eye worm)	steroid hormone receptor	0.0036	0.0163	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0036	0.0163	0.0332
Trichomonas vaginalis	cyclins, putative	0.0048	0.0292	0.0292
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0088	0.1569
Schistosoma mansoni	retinoic acid receptor RXR	0.0036	0.0163	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0215	0.0439
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0215	0.0439
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0163	0.0174
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0163	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0215	0.0215
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0215	1
Echinococcus multilocularis	FTZ F1 alpha	0.0036	0.0163	0.0174
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0088	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0036	0.0163	0.0332
Schistosoma mansoni	hypothetical protein	0.0036	0.0162	0.0205
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0036	0.0163	0.0332
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0288	0.0309
Trypanosoma cruzi	Wee1-like protein kinase, putative	0.0065	0.0461	1
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0113	0.0958	0.1957
Trichomonas vaginalis	esterase, putative	0.0041	0.0215	0.0215
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0215	0.4437
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0215	0.0272
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0215	0.5
Mycobacterium tuberculosis	Conserved protein	0.0041	0.0215	0.0197
Schistosoma mansoni	peroxidasin	0.0493	0.4892	0.6185
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0018	0.0018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0215	0.0272
Schistosoma mansoni	hypothetical protein	0.0036	0.0162	0.0205
Leishmania major	hypothetical protein, conserved	0.0041	0.0215	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0036	0.0163	0.0332
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0018	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Brugia malayi	Peroxidasin	0.0493	0.4892	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0163	0.0332
Echinococcus multilocularis	Niemann Pick C1 protein	0.0112	0.0949	0.1018
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0036	0.0163	0.0206
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0048	0.0292	0.0274
Trichomonas vaginalis	cyclins, putative	0.0048	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0059	0.04	0.0818
Schistosoma mansoni	coup transcription factor	0.0036	0.0163	0.0206
Mycobacterium ulcerans	hypothetical protein	0.0365	0.3572	0.356
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.0215	0.0197
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0036	0.0163	0.0174
Brugia malayi	hypothetical protein	0.0344	0.3346	0.684
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.1196	0.2444
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0036	0.0163	0.0206
Brugia malayi	nuclear receptor NHR-88	0.0036	0.0163	0.0332
Onchocerca volvulus		0.0048	0.0292	0.0274
Onchocerca volvulus		0.0493	0.4892	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0214	0.0271
Loa Loa (eye worm)	animal heme peroxidase	0.0493	0.4892	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0036	0.0163	0.0206
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.0215	0.0197
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0162	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0163	0.0332
Mycobacterium ulcerans	hypothetical protein	0.0365	0.3572	0.356
Entamoeba histolytica	hypothetical protein	0.0041	0.0214	0.2239
Onchocerca volvulus	Peroxidase homolog	0.0493	0.4892	1
Loa Loa (eye worm)	hypothetical protein	0.0493	0.4892	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0112	0.0949	0.1941
Mycobacterium ulcerans	2-nitropropane dioxygenase	0.0987	1	1
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0215	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0018	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0344	0.3346	0.684
Mycobacterium tuberculosis	Possible alanine rich oxidoreductase	0.0987	1	1
Schistosoma mansoni	cyclin B	0.0048	0.0292	0.0369
Schistosoma mansoni	hypothetical protein	0.0036	0.0162	0.0205
Entamoeba histolytica	heat shock transcription factor, putative	0.0113	0.0958	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0215	0.0215
Brugia malayi	Animal haem peroxidase family protein	0.0493	0.4892	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0162	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0162	0.0332
Trypanosoma brucei	mitotic cyclin 6	0.0048	0.0292	0.6182
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0018	0.0037
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.0215	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0292	0.0597
Trypanosoma cruzi	cyclin 6, putative	0.0048	0.0292	0.6182
Echinococcus multilocularis	X box binding protein 1	0.0328	0.318	0.3409
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0163	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0036	0.0163	0.0332
Trichomonas vaginalis	cyclin B, putative	0.0048	0.0292	0.0292
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.0215	0.0197
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0018	0.0191

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 88 %	Activity against TRAFalpha1 expressed in CHOK1 cells by alkaline phosphatase reporter gene assay	ChEMBL.	17543524
Activity (binding)	= 100 %	Activity against TRAFbeta expressed in CHOK1 cells by alkaline phosphatse reporter gene assay	ChEMBL.	17543524
EC50 (binding)	= 1.2 nM	Activity against TRAFbeta expressed in CHOK1 cells by alkaline phosphatse reporter gene assay	ChEMBL.	17543524
EC50 (binding)	= 2.3 nM	Activity against TRAFalpha1 expressed in CHOK1 cells by alkaline phosphatase reporter gene assay	ChEMBL.	17543524
IC50 (binding)	= 0.71 nM	Binding affinity at human thyroid hormone receptor beta1 expressed in CHOK1 cells	ChEMBL.	17543524
IC50 (binding)	= 0.71 nM	Binding affinity at human thyroid hormone receptor beta1 expressed in CHOK1 cells	ChEMBL.	17543524
IC50 (binding)	= 9.8 nM	Binding affinity at human thyroid hormone receptor alpha 1 expressed in CHOK1 cells	ChEMBL.	17543524
IC50 (binding)	= 9.8 nM	Binding affinity at human thyroid hormone receptor alpha 1 expressed in CHOK1 cells	ChEMBL.	17543524
Ratio IC50 (binding)	= 8.2	Selectivity ratio of IC50 for thyroid hormone receptor alpha1 to IC50 for thyroid hormone receptor beta1	ChEMBL.	17543524

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: CHEMBL391512
PubChem: 23648084

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 443340