TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 520.766 | Formula: C33H44O3S
H donors: 1 H acceptors: 2 LogP: 11.37 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1cccc2c1cc(s2)/C(=C/C(=O)O)/C
InChi: 1S/C33H44O3S/c1-9-10-11-12-13-17-36-31-26(19-23(32(3,4)5)20-27(31)33(6,7)8)24-15-14-16-28-25(24)21-29(37-28)22(2)18-30(34)35/h14-16,18-21H,9-13,17H2,1-8H3,(H,34,35)/b22-18+
InChiKey: WRGWXGCPDRRZSK-RELWKKBWSA-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
Mus musculus	retinoid X receptor gamma	Starlite/ChEMBL	References
Homo sapiens	retinoid X receptor, beta	Starlite/ChEMBL	References
Homo sapiens	retinoid X receptor, gamma	Starlite/ChEMBL	References
Homo sapiens	retinoid X receptor, alpha	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, alpha	Starlite/ChEMBL	References
Mus musculus	retinoid X receptor beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131607	All targets in OG5_131607
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	Get druggable targets OG5_131607	All targets in OG5_131607
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
Brugia malayi	nuclear hormone receptor	Get druggable targets OG5_131607	All targets in OG5_131607
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073
Loa Loa (eye worm)	nuclear receptor nhr-7B	Get druggable targets OG5_131607	All targets in OG5_131607

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	retinoid X receptor gamma	340 aa	338 aa	24.6 %
Brugia malayi	ecdysteroid receptor	retinoid X receptor, alpha	435 aa	352 aa	23.9 %
Brugia malayi	ecdysteroid receptor	retinoid X receptor, gamma	340 aa	338 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0596	0.7098	0.7465
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0153	0.1472	0.6653
Schistosoma mansoni	serine/threonine protein kinase	0.0211	0.2213	0.2213
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.007	0.0426	0.0426
Brugia malayi	photoreceptor-specific nuclear receptor	0.007	0.0426	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0006	0.0006
Brugia malayi	steroid hormone receptor	0.007	0.0426	0.0994
Echinococcus multilocularis	cyclin dependent kinase	0.0153	0.1472	0.1545
Echinococcus multilocularis	ecdysone induced protein 78C	0.007	0.0426	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0006	0.0006
Schistosoma mansoni	carbonic anhydrase	0.0097	0.0767	0.0767
Leishmania major	protein kinase, putative	0.0073	0.0463	0.2093
Giardia lamblia	Kinase, CMGC CDK	0.0153	0.1472	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.007	0.0426	0.0426
Echinococcus multilocularis	carbonic anhydrase	0.0097	0.0767	0.0805
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.007	0.0426	0.0426
Echinococcus granulosus	cyclin dependent kinase 1	0.0153	0.1472	0.1472
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0374	0.4286	0.4507
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0211	0.2213	1
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0596	0.7098	0.7449
Echinococcus multilocularis	cyclin dependent kinase 1	0.0153	0.1472	0.1545
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0211	0.2213	1
Brugia malayi	nuclear receptor NHR-88	0.007	0.0426	0.0994
Entamoeba histolytica	protein kinase, putative	0.0211	0.2213	1
Brugia malayi	nuclear hormone receptor	0.007	0.0426	0.0994
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.007	0.0426	0.0448
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.007	0.0426	0.0448
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0097	0.0767	0.3466
Schistosoma mansoni	carbonic anhydrase-related	0.0097	0.0767	0.0767
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0097	0.0767	0.179
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.1472	1
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0374	0.4286	0.4498
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.007	0.0426	0.0994
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0327	0.3682	0.8591
Echinococcus granulosus	FTZ F1 alpha	0.007	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Schistosoma mansoni	serine/threonine protein kinase	0.0153	0.1472	0.1472
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0153	0.1472	0.6653
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0153	0.1472	0.1472
Leishmania major	carbonic anhydrase-like protein	0.0097	0.0767	0.3466
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0037	0.0006	0.0006
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0037	0.0006	0.0006
Trypanosoma cruzi	cdc2-related kinase 1	0.0153	0.1472	0.6653
Echinococcus multilocularis	thyroid hormone receptor alpha	0.007	0.0426	0.0447
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.007	0.0426	0.0994
Brugia malayi	nuclear receptor RXR	0.0037	0.0006	0.0013
Echinococcus multilocularis	cyclin dependent kinase 5	0.0153	0.1472	0.1545
Trypanosoma brucei	cdc2-related kinase 1	0.0153	0.1472	0.2268
Onchocerca volvulus	Bile acid receptor homolog	0.007	0.0426	0.0994
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.007	0.0426	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0285	0.3156	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0785	0.9508	1
Brugia malayi	Protein kinase domain containing protein	0.0211	0.2213	0.5164
Brugia malayi	Nuclear hormone receptor-like 1	0.007	0.0426	0.0994
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.029	0.3211	0.3377
Schistosoma mansoni	serine/threonine protein kinase	0.0374	0.4286	0.4286
Leishmania major	protein kinase, putative	0.0073	0.0463	0.2093
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0097	0.0767	0.0767
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0073	0.0463	0.0713
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0073	0.0463	0.0487
Schistosoma mansoni	thyroid hormone receptor	0.007	0.0426	0.0426
Plasmodium vivax	protein kinase Crk2	0.0153	0.1472	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0374	0.4286	0.4507
Echinococcus multilocularis	cyclin dependent kinase 1	0.0153	0.1472	0.1545
Schistosoma mansoni	serine/threonine protein kinase	0.0153	0.1472	0.1472
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0097	0.0767	0.179
Echinococcus multilocularis		0.0069	0.0409	0.0429
Echinococcus granulosus	carbonic anhydrase	0.0097	0.0767	0.0767
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0073	0.0463	0.2093
Echinococcus granulosus	carbonic anhydrase II	0.0097	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2791	0.2935
Echinococcus multilocularis	FTZ F1 alpha	0.007	0.0426	0.0447
Echinococcus multilocularis	carbonic anhydrase	0.0097	0.0767	0.0805
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0767	0.0807
Brugia malayi	nuclear hormone receptor	0.029	0.3211	0.7493
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0006	0.0013
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.0426	0.0994
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.007	0.0426	0.0994
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0374	0.4286	0.4286
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0037	0.0006	0.0006
Trypanosoma brucei	RNA helicase, putative	0.0548	0.6493	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.007	0.0426	0.0426
Entamoeba histolytica	cell division protein kinase 2, putative	0.0153	0.1472	0.6653
Trypanosoma brucei	cdc2-related kinase 3	0.0153	0.1472	0.2268
Brugia malayi	Steroid receptor seven-up type 2	0.007	0.0426	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0207	0.2159	0.227
Loa Loa (eye worm)	hypothetical protein	0.0285	0.3156	0.3319
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.007	0.0426	0.0447
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.007	0.0426	0.0994
Brugia malayi	ecdysteroid receptor	0.007	0.0426	0.0994
Echinococcus granulosus	dual specificity protein kinase clk2	0.0073	0.0463	0.0463
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.007	0.0426	0.0448
Schistosoma mansoni	retinoic acid receptor RXR	0.0824	1	1
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0596	0.7098	0.7098
Echinococcus multilocularis	carbonic anhydrase II	0.0097	0.0767	0.0805
Trypanosoma cruzi	cdc2-related kinase 3	0.0153	0.1472	0.6653
Entamoeba histolytica	cell division protein kinase 2, putative	0.0153	0.1472	0.6653
Loa Loa (eye worm)	carbonic anhydrase 3	0.0097	0.0767	0.0807
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.007	0.0426	0.0994
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.007	0.0426	0.0447
Echinococcus granulosus	cyclin dependent kinase	0.0153	0.1472	0.1472
Echinococcus granulosus	ecdysone induced protein 78C	0.007	0.0426	0.0426
Schistosoma mansoni	nuclear hormone receptor	0.007	0.0426	0.0426
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0006	0.0013
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0037	0.0006	0.0006
Brugia malayi	Protein kinase domain containing protein	0.0374	0.4286	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.0426	0.0426
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0073	0.0463	0.2093
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.0426	0.0994
Echinococcus granulosus	dual specificity	0.0211	0.2213	0.2213
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.0426	0.0447
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0097	0.0767	0.179
Giardia lamblia	Kinase, CMGC CDK	0.0153	0.1472	1
Brugia malayi	Protein kinase domain containing protein	0.0153	0.1472	0.3435
Loa Loa (eye worm)	hypothetical protein	0.0207	0.2159	0.227
Echinococcus granulosus	carbonic anhydrase	0.0097	0.0767	0.0767
Entamoeba histolytica	protein kinase, putative	0.0211	0.2213	1
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0374	0.4286	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0787	0.9529	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0097	0.0767	0.3466
Giardia lamblia	Kinase, CMGC CLK	0.0073	0.0463	0.3145
Schistosoma mansoni	thyroid hormone receptor	0.007	0.0426	0.0426
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0073	0.0463	0.0713
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0097	0.0767	0.179
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0073	0.0463	0.0486
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0211	0.2213	0.2328
Echinococcus multilocularis	carbonic anhydrase	0.0097	0.0767	0.0805
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0153	0.1472	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.007	0.0426	0.0994
Loa Loa (eye worm)	steroid hormone receptor	0.007	0.0426	0.0448
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0463	0.0463
Trichomonas vaginalis	CMGC family protein kinase	0.0073	0.0463	0.3145
Schistosoma mansoni	coup transcription factor	0.007	0.0426	0.0426
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.0426	0.0994
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.0426	0.0994
Schistosoma mansoni	RAR-like nuclear receptor	0.007	0.0426	0.0426
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.007	0.0426	0.0994
Echinococcus granulosus	hypothetical protein	0.0069	0.0409	0.0409
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.0426	0.0994
Schistosoma mansoni	hypothetical protein	0.0097	0.0767	0.0767
Entamoeba histolytica	hypothetical protein	0.0211	0.2213	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.007	0.0426	0.0448
Schistosoma mansoni	carbonic anhydrase-related	0.0097	0.0767	0.0767
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.007	0.0426	0.0447
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0596	0.7098	0.7098
Echinococcus multilocularis	dual specificity	0.0211	0.2213	0.2323
Trypanosoma brucei	carbonic anhydrase-like protein	0.0097	0.0767	0.1181
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0097	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0409	0.043
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.007	0.0426	0.0426
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0037	0.0006	0.0006
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.007	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1418	0.1491
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.1472	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.007	0.0426	0.0426
Schistosoma mansoni	steroid hormone receptor ad4bp	0.007	0.0426	0.0426
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.007	0.0426	0.0448
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.007	0.0426	0.0426
Schistosoma mansoni	hypothetical protein	0.0548	0.6493	0.6493
Loa Loa (eye worm)	hypothetical protein	0.007	0.0426	0.0448
Plasmodium falciparum	carbonic anhydrase	0.0097	0.0767	0.3011
Brugia malayi	hypothetical protein	0.0285	0.3156	0.7363
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0211	0.2213	0.3409
Onchocerca volvulus	Protein ultraspiracle homolog	0.007	0.0426	0.0994
Toxoplasma gondii	hypothetical protein	0.0097	0.0767	0.3011
Onchocerca volvulus		0.007	0.0426	0.0994
Trypanosoma cruzi	cdc2-related kinase 1	0.0153	0.1472	0.6653
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0006	0.0006
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.0426	0.0426
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0097	0.0767	0.179
Schistosoma mansoni	serine/threonine protein kinase	0.0073	0.0463	0.0463
Trypanosoma cruzi	cdc2-related kinase 3	0.0153	0.1472	0.6653
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0153	0.1472	0.1548
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0097	0.0767	0.179
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.1472	1
Schistosoma mansoni	carbonic anhydrase-related	0.0097	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0767	0.0807
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0097	0.0767	0.179
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0153	0.1472	0.1548
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.0426	0.0447
Brugia malayi	Protein kinase domain containing protein	0.0073	0.0463	0.1081
Echinococcus granulosus	carbonic anhydrase	0.0097	0.0767	0.0767
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0073	0.0463	0.2093
Echinococcus granulosus	cyclin dependent kinase 5	0.0153	0.1472	0.1472
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0097	0.0767	0.0807
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0097	0.0767	0.0807
Brugia malayi	hypothetical protein	0.0037	0.0006	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0006	0.0006
Plasmodium falciparum	protein kinase 5	0.0153	0.1472	1
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0374	0.4286	1
Brugia malayi	cell division control protein 2 homolog	0.0153	0.1472	0.3435
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.0426	0.0994
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.007	0.0426	0.0448
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0153	0.1472	0.1548
Entamoeba histolytica	protein kinase domain containing protein	0.0211	0.2213	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.007	0.0426	0.0426
Brugia malayi	hypothetical protein	0.0037	0.0006	0.0013
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0073	0.0463	0.2093
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0211	0.2213	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.007	0.0426	0.0426
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.007	0.0426	0.0447

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	0 nM	Agonist activity for Retinoic X receptor alpha in CV1 cells	ChEMBL.	15006411
Efficacy (functional)	= 2 %	In vitro agonist efficacy at human Retinoic X receptor alpha expressed in CV1 cells.	ChEMBL.	15006411
Efficacy (functional)	= 2 %	In vitro agonist efficacy at human Retinoic X receptor alpha expressed in CV1 cells.	ChEMBL.	15006411
Efficacy (functional)	= 96 %	In vitro agonist efficacy at human Retinoic X receptor alpha expressed in CV1 cells.	ChEMBL.	15006411
Efficacy (functional)	= 96 %	In vitro agonist efficacy at human Retinoic X receptor alpha expressed in CV1 cells.	ChEMBL.	15006411
IC50 (functional)	= 83 nM	Antagonist activity for Retinoic X receptor alpha in CV1 cells	ChEMBL.	15006411
IC50 (functional)	= 83 nM	Antagonist activity for Retinoic X receptor alpha in CV1 cells	ChEMBL.	15006411
Ki (binding)	= 5 nM	Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.	ChEMBL.	15006411
Ki (binding)	= 5 nM	Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.	ChEMBL.	15006411
Ki (binding)	= 12 nM	Displacement of [3H]-9-cis-RA from Retinoic X receptor beta	ChEMBL.	15006411
Ki (binding)	= 12 nM	Displacement of [3H]-9-cis-RA from Retinoic X receptor beta	ChEMBL.	15006411
Ki (binding)	= 28 nM	Displacement of [3H]-9-cis-RA from retinoic X receptor gamma	ChEMBL.	15006411
Ki (binding)	= 28 nM	Displacement of [3H]-9-cis-RA from retinoic X receptor gamma	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity against retinoic acid receptor alpha by [3H]-ATRA displacement.	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity against retinoic acid receptor gamma by [3H]-ATRA displacement.	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity against retinoic acid receptor alpha by [3H]-ATRA displacement.	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.	ChEMBL.	15006411
Ki (binding)	> 10000 nM	Binding affinity against retinoic acid receptor gamma by [3H]-ATRA displacement.	ChEMBL.	15006411

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.

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External resources for this compound

ChEMBL: CHEMBL291034

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 56867