TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 506.59 | Formula: C29H34N2O6
H donors: 1 H acceptors: 3 LogP: 3.96 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CCCOc1cccc(c1)C1N(CCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O
InChi: 1S/C29H34N2O6/c1-3-13-36-23-6-4-5-20(18-23)26-25(27(32)21-7-8-24-22(17-21)16-19(2)37-24)28(33)29(34)31(26)10-9-30-11-14-35-15-12-30/h4-8,17-19,26,33H,3,9-16H2,1-2H3
InChiKey: AWGIJEALOLZRMZ-UHFFFAOYSA-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

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Entamoeba histolytica	aldose reductase, putative	0.0556	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0556	1	1
Brugia malayi	MH2 domain containing protein	0.0008	0.0068	0.0068
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0071	0.0066
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0556	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0005	0.0005	0.0005
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.2836	0.2795
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0068	0.0063
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0071	0.0066
Brugia malayi	MH1 domain containing protein	0.0008	0.0068	0.0068
Trichomonas vaginalis	conserved hypothetical protein	0.0161	0.2836	0.2795
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0161	0.2836	0.1945
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0071	0.0066
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0106	0.0106
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.2836	0.2795
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0161	0.2836	0.2833
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0917	0.0912
Schistosoma mansoni	cpg binding protein	0.0035	0.0544	0.0539
Echinococcus multilocularis	aldo keto reductase	0.0556	1	1
Echinococcus granulosus	Smad4	0.0008	0.0068	0.0063
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Onchocerca volvulus		0.0556	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0556	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0016	0.0011
Echinococcus granulosus	voltage gated potassium channel subunit	0.0161	0.2836	0.2833
Echinococcus multilocularis	Smad4	0.0008	0.0068	0.0063
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0106	0.0101
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0106	0.0101
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0011
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Loa Loa (eye worm)	oxidoreductase	0.0556	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0106	0.0101
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0106	0.0101
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Schistosoma mansoni	cpg binding protein	0.0037	0.058	0.0575
Plasmodium falciparum	aldehyde reductase, putative	0.0161	0.2836	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0106	0.0101
Trypanosoma cruzi	aldo-keto reductase	0.0556	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0917	0.0912
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0917	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0556	1	1
Onchocerca volvulus		0.0556	1	1
Brugia malayi	steroid hormone receptor	0.0011	0.0106	0.0106
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Mycobacterium tuberculosis	Probable oxidoreductase	0.0556	1	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0161	0.2836	0.5
Onchocerca volvulus		0.0556	1	1
Brugia malayi	nuclear receptor RXR	0.0006	0.0016	0.0016
Loa Loa (eye worm)	oxidoreductase	0.0556	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0106	0.0106
Schistosoma mansoni	aldo-keto reductase	0.0556	1	1
Toxoplasma gondii	aldose reductase, putative	0.0556	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0556	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0106	0.0106
Schistosoma mansoni	smad	0.0008	0.0068	0.0063
Loa Loa (eye worm)	DR-78	0.0005	0.0005	0.0005
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0106	0.0101
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Brugia malayi	Smad1	0.0008	0.0068	0.0068
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0106	0.0101
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0161	0.2836	0.2836
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0106	0.0106
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.011	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0016
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0917	0.0912
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0016
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0068	0.0063
Echinococcus granulosus	aldo keto reductase	0.0556	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0106	0.0101
Onchocerca volvulus		0.0035	0.0544	0.0539
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0106	0.0101
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.011	0.0105
Entamoeba histolytica	aldose reductase, putative	0.0556	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.2164	0.2164
Trichomonas vaginalis	aldo/keto reductase, putative	0.0556	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0106	0.0106
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0161	0.2836	0.1945
Onchocerca volvulus		0.0161	0.2836	0.2833
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0556	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0556	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0106	0.0101
Plasmodium vivax	aldehyde reductase, putative	0.0161	0.2836	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0106	0.0101
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0106	0.0101
Echinococcus multilocularis	aldo keto reductase	0.0556	1	1
Toxoplasma gondii	aldo-keto reductase	0.0161	0.2836	0.1945
Brugia malayi	nuclear receptor NHR-67	0.0005	0.0005	0.0005
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0107	0.0107
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0005	0.0005	0.0005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0917	0.0912
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0071	0.0066
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0016
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0068	0.0068
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0005	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0106	0.0106
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0106	0.0106
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0544	0.0544
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0106	0.0106
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0106	0.0101
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0068	0.0063
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0068	0.0063
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Brugia malayi	conserved hypotetical protein	0.0005	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0161	0.2836	0.2833
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0068	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0106	0.0106
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0068	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Brugia malayi	MH2 domain containing protein	0.0124	0.2164	0.2164
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0006	0.0016	0.0016
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0016	0.0011
Schistosoma mansoni	Smad4	0.0008	0.0068	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0106	0.0106
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0556	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0106	0.0106
Echinococcus granulosus	aldo keto reductase	0.0556	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Echinococcus multilocularis	aldo keto reductase	0.0556	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0106	0.0101
Brugia malayi	nuclear hormone receptor	0.0005	0.0005	0.0005
Echinococcus multilocularis	cpg binding protein	0.0037	0.058	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0106	0.0101
Schistosoma mansoni	potassium channel beta	0.0161	0.2836	0.2833
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0106	0.0101
Echinococcus granulosus	hypothetical protein	0.0556	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0106	0.0101
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0106	0.0101
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0106	0.0101
Brugia malayi	nuclear hormone receptor	0.0011	0.0106	0.0106
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0161	0.2836	0.5
Trypanosoma cruzi	aldo/keto reductase, putative	0.0556	1	1
Trypanosoma brucei	prostaglandin f synthase	0.0556	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0106	0.0101
Schistosoma mansoni	aldo-keto reductase	0.0556	1	1
Echinococcus multilocularis	aldehyde reductase	0.0395	0.7079	0.7077
Mycobacterium leprae	Conserved hypothetical protein	0.0395	0.7079	0.5922
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0016
Schistosoma mansoni	cpg binding protein	0.0037	0.058	0.0575
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0106	0.0101
Brugia malayi	hypothetical protein	0.0005	0.0005	0.0005
Echinococcus granulosus	cpg binding protein	0.0037	0.058	0.0575
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0106	0.0101
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0161	0.2836	0.2795
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0106	0.0101
Loa Loa (eye worm)	nuclear hormone receptor	0.0005	0.0005	0.0005
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0544	0.0544
Brugia malayi	nuclear receptor RXR	0.0005	0.0005	0.0005
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Onchocerca volvulus		0.0556	1	1
Giardia lamblia	Aldose reductase	0.0556	1	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0161	0.2836	0.2836
Mycobacterium ulcerans	oxidoreductase	0.0556	1	1
Entamoeba histolytica	aldose reductase, putative	0.0556	1	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0068	0.0068
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0917	0.0917
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0106	0.0106
Giardia lamblia	Aldose reductase	0.0556	1	0.5
Echinococcus granulosus	aldehyde reductase	0.0395	0.7079	0.7077
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0005	0.0005	0.0005
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0917	0.0917
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Loa Loa (eye worm)	oxidoreductase	0.0556	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0106	0.0101
Brugia malayi	nuclear receptor NHR-88	0.0005	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0005	0.0005	0.0005
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.0016
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.2164	0.2164
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0106	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0106	0.0106
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0106	0.0101
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0106	0.0101
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.0016
Brugia malayi	hypothetical protein	0.0006	0.0016	0.0016
Schistosoma mansoni	pol-related	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0005	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0106	0.0106
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Loa Loa (eye worm)	oxidoreductase	0.0556	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0106	0.0106
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0556	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0005	0.0005	0.0005
Brugia malayi	MH2 domain containing protein	0.0008	0.0068	0.0068
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Loa Loa (eye worm)	Smad1	0.0008	0.0068	0.0068
Echinococcus multilocularis	aldo keto reductase	0.0556	1	1
Echinococcus multilocularis	smad	0.0008	0.0068	0.0063
Schistosoma mansoni	coup transcription factor	0.0011	0.0106	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0005	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0106	0.0106
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0068	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0106	0.0106
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.2836	0.2795
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0556	1	1
Onchocerca volvulus		0.0011	0.0106	0.0101
Brugia malayi	tailless protein	0.0005	0.0005	0.0005
Onchocerca volvulus		0.0556	1	1
Brugia malayi	ecdysone receptor	0.0005	0.0005	0.0005
Onchocerca volvulus		0.0556	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0106	0.0106
Leishmania major	aldo-keto reductase-like protein	0.0556	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0917	0.0912
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0106	0.0106
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0106	0.0106
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0556	1	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0068	0.0068
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0556	1	1
Echinococcus granulosus	smad	0.0008	0.0068	0.0063
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0106	0.0106
Brugia malayi	ecdysteroid receptor	0.0011	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0005	0.0005
Echinococcus granulosus	aldo keto reductase	0.0556	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0161	0.2836	0.2836
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0005	0.0005	0.0005
Leishmania major	prostaglandin f synthase, putative	0.0556	1	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0068	0.0063
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0556	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0106	0.0106
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0106	0.0101
Loa Loa (eye worm)	oxidoreductase	0.0556	1	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0071	0.0066
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0917	0.0912
Trichomonas vaginalis	aldo-keto reductase, putative	0.0556	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1249	0.1245

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

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: CHEMBL1346374

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1234201