TDR Targets

Basic information

Technical information

TDR Targets ID: 442720
Name: 3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]ind ol-2-yl]phenyl]propanoic acid
MW: 365.422 | Formula: C22H23NO4
H donors: 1 H acceptors: 3 LogP: 4.69 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCc1ccc(cc1)c1cc2c(n1C(=O)OC(C)(C)C)cccc2
InChi: 1S/C22H23NO4/c1-22(2,3)27-21(26)23-18-7-5-4-6-17(18)14-19(23)16-11-8-15(9-12-16)10-13-20(24)25/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25)
InChiKey: MKCFFUAMLVRSKU-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

3-[4-(1-tert-butoxycarbonylindol-2-yl)phenyl]propanoic acid
3-[4-[1-[tert-butoxy(oxo)methyl]-2-indolyl]phenyl]propanoic acid
3-[4-(1-tert-butoxycarbonylindol-2-yl)phenyl]propionic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear receptor subfamily 1, group H, member 3	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 1, group H, member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445

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	nuclear receptor subfamily 1, group H, member 3	387 aa	321 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Schistosoma mansoni	nuclear hormone receptor	0.0109	0.0461	0.0461
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0241	0.1066	0.1724
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Echinococcus granulosus	ecdysone induced protein 78C	0.0241	0.1066	0.1066
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0241	0.1066	0.1724
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Plasmodium vivax	vivapain-2	0.0016	0.0036	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0109	0.0461	0.0461
Onchocerca volvulus	Bile acid receptor homolog	0.0426	0.1914	0.2808
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0241	0.1066	0.1066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0036	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0566	0.0913
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0241	0.1066	0.1134
Brugia malayi	Nuclear hormone receptor-like 1	0.0241	0.1066	0.1724
Brugia malayi	nuclear hormone receptor	0.0241	0.1066	0.1724
Entamoeba histolytica	cysteine protease, putative	0.0016	0.0036	0.1415
Onchocerca volvulus	Protein ultraspiracle homolog	0.0241	0.1066	0.1556
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0132	0.0141
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0109	0.0461	0.0461
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0241	0.1066	0.1724
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0241	0.1066	0.1724
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0247	0.9614
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0257	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0241	0.1066	0.1724
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.1018	0.1084
Schistosoma mansoni	nuclear receptor	0.0109	0.0461	0.0461
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0012	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0241	0.1066	0.1722
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0177	0.0286
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	steroid hormone receptor	0.0241	0.1066	0.1724
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0241	0.1066	0.1066
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0109	0.0461	0.0461
Echinococcus multilocularis	Protein lozenge	0.0054	0.021	0.0223
Brugia malayi	CXXC zinc finger family protein	0.0028	0.009	0.0145
Echinococcus granulosus	nuclear receptor nhr 48	0.0109	0.0461	0.0461
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0036	1
Echinococcus multilocularis	cysteine protease	0.0016	0.0036	0.0039
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0241	0.1066	0.1066
Leishmania major	cathepsin L-like protease	0.0062	0.0247	0.955
Loa Loa (eye worm)	steroid hormone receptor	0.0241	0.1066	0.1722
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Onchocerca volvulus		0.0028	0.009	0.0116
Schistosoma mansoni	nuclear receptor nhr-48	0.0109	0.0461	0.0461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0036	1
Onchocerca volvulus		0.0047	0.0177	0.0244
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0257	1
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.0997	0.1612
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0241	0.1066	0.1066
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0012	0.045
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Onchocerca volvulus		0.0016	0.0036	0.0037
Brugia malayi	Nuclear hormone receptor E75	0.0109	0.0461	0.0746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Schistosoma mansoni	retinoic acid receptor RXR	0.2192	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0036	0.0059
Onchocerca volvulus		0.0109	0.0461	0.0664
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Echinococcus multilocularis	dnaJ subfamily B	0.0399	0.179	0.1905
Onchocerca volvulus		0.0016	0.0036	0.0037
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Brugia malayi	nuclear receptor RXR	0.0109	0.0461	0.0746
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0109	0.0461	0.0664
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0241	0.1066	0.1134
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0566	0.0913
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0036	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0566	0.0913
Brugia malayi	Steroid receptor seven-up type 2	0.0241	0.1066	0.1724
Echinococcus multilocularis	ecdysone induced protein 78C	0.0241	0.1066	0.1134
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0241	0.1066	0.1724
Brugia malayi	nuclear receptor NHR-88	0.0109	0.0461	0.0746
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0036	0.0057
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0132	0.0566	0.0566
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Onchocerca volvulus		0.0016	0.0036	0.0037
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0241	0.1066	0.1066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0012	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Onchocerca volvulus		0.0016	0.0036	0.0037
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0241	0.1066	0.1724
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0012	0.0019
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0132	0.0566	0.0566
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0257	0.0257
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0241	0.1066	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0241	0.1066	0.1724
Brugia malayi	photoreceptor-specific nuclear receptor	0.0241	0.1066	0.1724
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0222	0.8649
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0109	0.0461	0.0461
Loa Loa (eye worm)	runx1	0.0054	0.021	0.0338
Onchocerca volvulus		0.0432	0.1941	0.2848
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0241	0.1066	0.1724
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0241	0.1066	0.1066
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0109	0.0461	0.0461
Plasmodium vivax	vivapain-2	0.0016	0.0036	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0132	0.0566	0.0602
Brugia malayi	hypothetical protein	0.0432	0.1941	0.314
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0036	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0241	0.1066	0.1724
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0241	0.1066	0.1066
Echinococcus granulosus	dnaJ subfamily B	0.0399	0.179	0.179
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0241	0.1066	0.1722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0012	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0036	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Brugia malayi	hypothetical protein	0.0231	0.1018	0.1647
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Onchocerca volvulus		0.0016	0.0036	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Schistosoma mansoni	coup transcription factor	0.0241	0.1066	0.1066
Echinococcus granulosus	FTZ F1 alpha	0.0241	0.1066	0.1066
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0109	0.0461	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0566	0.0913
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0257	0.0273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0001	0.0001
Onchocerca volvulus		0.0016	0.0036	0.0037
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	hypothetical protein	0.0109	0.0461	0.0746
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Loa Loa (eye worm)	hypothetical protein	0.1249	0.5682	0.9191
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Echinococcus multilocularis	cpg binding protein	0.003	0.0097	0.0103
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0241	0.1066	0.1724
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0566	0.0913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0036	0.1415
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Brugia malayi	ecdysone receptor	0.0109	0.0461	0.0746
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0036	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0241	0.1066	0.1722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.1018	0.1018
Loa Loa (eye worm)	fibroinase	0.0016	0.0036	0.0057
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0036	0.0039
Loa Loa (eye worm)	nuclear hormone receptor	0.0109	0.0461	0.0745
Leishmania major	cathepsin L-like protease	0.0062	0.0247	0.955
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.1358	0.6182	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0241	0.1066	0.1722
Schistosoma mansoni	lozenge	0.0054	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0036	0.1415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Loa Loa (eye worm)	hypothetical protein	0.0432	0.1941	0.3139
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0109	0.0461	0.0491
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0205	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0257	1
Onchocerca volvulus		0.0109	0.0461	0.0664
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0109	0.0461	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	cathepsin L-like precursor	0.0011	0.0012	0.0019
Brugia malayi	nuclear hormone receptor family member odr-7	0.0109	0.0461	0.0746
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0241	0.1066	0.1134
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0257	0.0415
Brugia malayi	hypothetical protein	0.0132	0.0566	0.0915
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0036	0.0037
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0109	0.0461	0.0746
Schistosoma mansoni	nuclear hormone receptor	0.0109	0.0461	0.0461
Echinococcus granulosus	cathepsin l1	0.0016	0.0036	0.0036
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0036	0.0039
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0036	0.0057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0241	0.1066	0.1722
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.206	0.9396	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0109	0.0461	0.0491
Brugia malayi	hypothetical protein	0.0132	0.0566	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1066	0.1722
Brugia malayi	ecdysteroid receptor	0.0426	0.1914	0.3096
Schistosoma mansoni	cpg binding protein	0.0028	0.009	0.009
Loa Loa (eye worm)	ctsf protein	0.0016	0.0036	0.0057
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.009	0.0143
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0036	0.0037
Brugia malayi	orphan nuclear receptor NR2E1	0.0109	0.0461	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Echinococcus multilocularis	FTZ F1 alpha	0.0241	0.1066	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0241	0.1066	0.1134
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0132	0.0566	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0432	0.1941	0.3139
Schistosoma mansoni	hypothetical protein	0.0399	0.179	0.179
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0036	0.0036
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0109	0.0461	0.0745
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.149	0.6787	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0132	0.0566	0.0915
Schistosoma mansoni	cpg binding protein	0.003	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0247	0.9614
Brugia malayi	Nuclear hormone receptor-like 1	0.0132	0.0566	0.0915
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0036	0.0059
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0036	0.0036
Echinococcus granulosus	cpg binding protein	0.003	0.0097	0.0097
Brugia malayi	tailless protein	0.0109	0.0461	0.0746
Echinococcus granulosus	cathepsin l1	0.0011	0.0012	0.0012
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.1066	0.1066
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0241	0.1066	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0109	0.0461	0.0491
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0109	0.0461	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1018	0.1646
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0241	0.1066	0.1066
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0241	0.1066	0.1066
Schistosoma mansoni	cpg binding protein	0.003	0.0097	0.0097
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0012	0.0019
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0257	0.0413
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0241	0.1066	0.1724
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0241	0.1066	0.1066
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0241	0.1066	0.1134
Brugia malayi	conserved hypotetical protein	0.0109	0.0461	0.0746
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0241	0.1066	0.1066
Schistosoma mansoni	zinc finger protein	0.0109	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0426	0.1914	0.3094
Schistosoma mansoni	hypothetical protein	0.0047	0.0177	0.0177
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0109	0.0461	0.0461
Echinococcus multilocularis	nuclear receptor nhr 48	0.0109	0.0461	0.0491
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.1066	0.1066
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0186	0.7234
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0036	0.0037
Brugia malayi	nuclear receptor NHR-67	0.0109	0.0461	0.0746
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0247	0.9614
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0241	0.1066	0.1134
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0257	0.0257
Brugia malayi	nuclear hormone receptor	0.1358	0.6182	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0036	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0241	0.1066	0.1722
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0241	0.1066	0.1066
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0241	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Leishmania major	cathepsin L-like protease	0.0062	0.0247	0.955
Loa Loa (eye worm)	DR-78	0.0109	0.0461	0.0745
Onchocerca volvulus		0.0241	0.1066	0.1556
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0241	0.1066	0.1724
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0257	1
Loa Loa (eye worm)	cysteine protease	0.0016	0.0036	0.0057
Schistosoma mansoni	nuclear receptor	0.0109	0.0461	0.0461
Brugia malayi	Nuclear hormone receptor E75	0.0109	0.0461	0.0746
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0177	0.0177
Brugia malayi	nuclear receptor NHR-88	0.0241	0.1066	0.1724
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0109	0.0461	0.0746
Brugia malayi	nuclear receptor RXR	0.0132	0.0566	0.0915
Schistosoma mansoni	nuclear hormone receptor	0.0241	0.1066	0.1066
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0036	0.0039
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0036	0.0039
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0132	0.0566	0.0913
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0036	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0247	0.9614
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0241	0.1066	0.1066
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0247	0.9614
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Echinococcus granulosus	thyroid hormone receptor alpha	0.0109	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0461	0.0745
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.0997	0.1611
Onchocerca volvulus		0.0016	0.0036	0.0037
Echinococcus multilocularis	cysteine protease	0.0016	0.0036	0.0039

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 76 %	Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay relative to GW3965	ChEMBL.	17587573
EC50 (functional)	= 76 %	Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay relative to GW3965	ChEMBL.	17587573
EC50 (functional)	= 0.22 uM	Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitment assay	ChEMBL.	17587573
EC50 (functional)	= 0.22 uM	Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitment assay	ChEMBL.	17587573
EC50 (functional)	= 1.15 uM	Agonist activity at human LXRalpha receptor after 1 hr by HTRF cofactor recruitment assay	ChEMBL.	17587573
EC50 (functional)	= 1.15 uM	Agonist activity at human LXRalpha receptor after 1 hr by HTRF cofactor recruitment assay	ChEMBL.	17587573
EC50 (functional)	= 4.58 uM	Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay	ChEMBL.	17587573
EC50 (functional)	= 4.58 uM	Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay	ChEMBL.	17587573
EC50 (functional)	= 7 uM	Induction of cholesterol efflux in THP1 cells	ChEMBL.	17587573
EC50 (functional)	= 7 uM	Induction of cholesterol efflux in THP1 cells	ChEMBL.	17587573
Ratio (functional)	0	Induction of SREBP1c gene expression in HepG2 cells at 10 uM relative to control	ChEMBL.	17587573
Ratio (functional)	= 1.2	Induction of Lipogenesis in HepG2 cells at 10 uM relative to control	ChEMBL.	17587573
Ratio (functional)	= 1.4	Induction of cholesterol efflux in THP1 cells at 10 uM relative to control	ChEMBL.	17587573
Ratio (functional)	= 5.5	Induction of ABCA1 gene expression in THP1 cells at 10 uM relative to control	ChEMBL.	17587573

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17587573

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: CHEMBL397612
PubChem: 25190808

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 442720