TDR Targets

Basic information

Technical information

TDR Targets ID: 279914
Name: 4-[(E)-N-hydroxy-C-(3,5,5,8,8-pentamethyl-6,7 -dihydronaphthalen-2-yl)carbonimidoyl]benzoic acid
MW: 365.465 | Formula: C23H27NO3
H donors: 2 H acceptors: 3 LogP: 6.54 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/c1cc2c(cc1C)C(C)(C)CCC2(C)C)\c1ccc(cc1)C(=O)O
InChi: 1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,27H,10-11H2,1-5H3,(H,25,26)/b24-20+
InChiKey: ZDSBRLPUWAHPHO-HIXSDJFHSA-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

4-[(E)-N-hydroxy-C-(1,1,4,4,7-pentamethyltetralin-6-yl)carbonimidoyl]benzoic acid
4-[(E)-hydroxyimino-(1,1,4,4,7-pentamethyl-6-tetralinyl)methyl]benzoic acid
4-[(E)-(1,1,4,4,7-pentamethyltetralin-6-yl)carbohydroximoyl]benzoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	retinoid X receptor, beta	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, beta	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, alpha	Starlite/ChEMBL	References
Homo sapiens	retinoid X receptor, alpha	Starlite/ChEMBL	References
Homo sapiens	retinoid X receptor, gamma	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, gamma	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)	nuclear receptor nhr-7B	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
Brugia malayi	nuclear hormone receptor	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
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131607	All targets in OG5_131607
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	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, 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)	steroid hormone receptor	0.0088	0.0584	0.0605
Echinococcus granulosus	geminin	0.0172	0.1606	0.2423
Schistosoma mansoni	coup transcription factor	0.0088	0.0584	0.0887
Schistosoma mansoni	hypothetical protein	0.0061	0.0249	0.0378
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0088	0.0584	0.0605
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0088	0.0584	0.0619
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0088	0.0584	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0769	0.8921	0.9459
Brugia malayi	ecdysone receptor	0.0042	0.0014	0.0015
Schistosoma mansoni	hypothetical protein	0.0172	0.1606	0.2439
Brugia malayi	nuclear hormone receptor	0.0088	0.0584	0.0619
Echinococcus multilocularis	microtubule associated protein 2	0.0579	0.6587	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0042	0.0014	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0198	0.1932	0.2037
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0594	0.0615
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0088	0.0584	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0075	0.0065
Onchocerca volvulus	Bile acid receptor homolog	0.0088	0.0584	0.0584
Brugia malayi	hypothetical protein	0.0042	0.0014	0.0015
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0088	0.0584	0.0867
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0088	0.0584	0.0867
Echinococcus multilocularis	FTZ F1 alpha	0.0088	0.0584	0.0867
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0088	0.0584	0.0867
Loa Loa (eye worm)	MH2 domain-containing protein	0.01	0.073	0.0761
Brugia malayi	orphan nuclear receptor NR2E1	0.0042	0.0014	0.0015
Brugia malayi	PAS domain containing protein	0.0046	0.0065	0.0069
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0042	0.0014	0.0015
Brugia malayi	nuclear receptor NHR-67	0.0042	0.0014	0.0015
Schistosoma mansoni	thyroid hormone receptor	0.0088	0.0584	0.0887
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0088	0.0584	0.0619
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.0075	0.0114
Onchocerca volvulus		0.0042	0.0014	0.0014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0089	0.0594	0.0629
Brugia malayi	hypothetical protein	0.0153	0.1383	0.1466
Brugia malayi	hypoxia-induced factor 1	0.0142	0.1237	0.1312
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0249	0.025
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Brugia malayi	MH2 domain containing protein	0.01	0.073	0.0774
Echinococcus granulosus	survival motor neuron protein 1	0.0198	0.1932	0.2918
Echinococcus multilocularis	survival motor neuron protein 1	0.0198	0.1932	0.2918
Schistosoma mansoni	microtubule-associated protein tau	0.0579	0.6587	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Schistosoma mansoni	thyroid hormone receptor	0.0088	0.0584	0.0887
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.0014	0.0021
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0088	0.0584	0.0867
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0088	0.0584	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0075	0.0065
Echinococcus granulosus	FTZ F1 alpha	0.0088	0.0584	0.0867
Schistosoma mansoni	zinc finger protein	0.0042	0.0014	0.0021
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0047	0.0075	0.0114
Brugia malayi	nuclear receptor NHR-88	0.0042	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0075	0.0065
Brugia malayi	nuclear hormone receptor	0.0811	0.943	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0075	0.0065
Schistosoma mansoni	single-minded	0.0046	0.0065	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1383	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0047	0.0075	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0075	0.0065
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0089	0.0594	0.0615
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.0014	0.0014
Brugia malayi	photoreceptor-specific nuclear receptor	0.0088	0.0584	0.0619
Brugia malayi	hypothetical protein	0.0153	0.1379	0.1462
Brugia malayi	hypothetical protein	0.0047	0.0075	0.008
Brugia malayi	nuclear receptor RXR	0.0047	0.0075	0.008
Brugia malayi	conserved hypotetical protein	0.0042	0.0014	0.0015
Schistosoma mansoni	nuclear receptor nhr-48	0.0042	0.0014	0.0021
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0042	0.0014	0.0014
Brugia malayi	tailless protein	0.0042	0.0014	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0088	0.0584	0.0619
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0088	0.0584	0.0867
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0088	0.0584	0.0619
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0088	0.0584	0.0619
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0088	0.0584	0.0887
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0088	0.0584	0.0619
Loa Loa (eye worm)	STAT protein	0.011	0.0855	0.0893
Brugia malayi	hypothetical protein	0.0047	0.0075	0.008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0089	0.0594	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1379	0.145
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0088	0.0584	0.0887
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0075	0.008
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0047	0.0075	0.0093
Brugia malayi	hypothetical protein	0.0198	0.1932	0.2049
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0042	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0088	0.0584	0.0867
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0088	0.0584	0.0867
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0088	0.0584	0.0605
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0478	0.5357	0.8129
Brugia malayi	STAT protein, DNA binding domain containing protein	0.011	0.0855	0.0906
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0142	0.1237	0.1299
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0088	0.0584	0.0619
Brugia malayi	nuclear receptor NHR-88	0.0088	0.0584	0.0619
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0047	0.0075	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Onchocerca volvulus		0.0088	0.0584	0.0584
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.0014	0.0021
Brugia malayi	nuclear hormone receptor family member odr-7	0.0042	0.0014	0.0015
Schistosoma mansoni	hypothetical protein	0.0172	0.1606	0.2439
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0088	0.0584	0.0619
Schistosoma mansoni	nuclear receptor	0.0042	0.0014	0.0021
Echinococcus multilocularis	geminin	0.0172	0.1606	0.2423
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0088	0.0584	0.0619
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0088	0.0584	0.0867
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0088	0.0584	0.0887
Onchocerca volvulus		0.0153	0.1379	0.1379
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0525	0.5927	0.8996
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0811	0.943	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0088	0.0584	0.0867
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0088	0.0584	0.0887
Brugia malayi	hypothetical protein	0.0042	0.0014	0.0015
Onchocerca volvulus		0.0042	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Schistosoma mansoni	nuclear receptor	0.0042	0.0014	0.0021
Echinococcus multilocularis	ecdysone induced protein 78C	0.0088	0.0584	0.0867
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0088	0.0584	0.0887
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0088	0.0584	0.0867
Brugia malayi	Steroid receptor seven-up type 2	0.0088	0.0584	0.0619
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0088	0.0584	0.0619
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0088	0.0584	0.0619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0088	0.0584	0.0605
Schistosoma mansoni	aryl hydrocarbon receptor	0.0046	0.0065	0.0098
Brugia malayi	latrophilin 2 splice variant baaae	0.0061	0.0249	0.0264
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.0014	0.0015
Brugia malayi	nuclear receptor RXR	0.0042	0.0014	0.0015
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0088	0.0584	0.0867
Brugia malayi	Nuclear hormone receptor-like 1	0.0088	0.0584	0.0619
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0075	0.008
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0088	0.0584	0.0867
Schistosoma mansoni	nuclear hormone receptor	0.0088	0.0584	0.0887
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0088	0.0584	0.0619
Schistosoma mansoni	retinoic acid receptor RXR	0.0525	0.5927	0.8998
Brugia malayi	Nuclear hormone receptor E75	0.0042	0.0014	0.0015
Loa Loa (eye worm)	transcription factor SMAD2	0.01	0.073	0.0761
Echinococcus granulosus	ecdysone induced protein 78C	0.0088	0.0584	0.0867
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0042	0.0014	0.0021
Brugia malayi	steroid hormone receptor	0.0088	0.0584	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0584	0.0605
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0088	0.0584	0.0887
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0088	0.0584	0.0605
Onchocerca volvulus	Protein ultraspiracle homolog	0.0088	0.0584	0.0584
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0088	0.0584	0.0619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0088	0.0584	0.0605
Brugia malayi	ecdysteroid receptor	0.0088	0.0584	0.0619
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0216	0.2152	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0088	0.0584	0.0605
Echinococcus granulosus	microtubule associated protein 2	0.0579	0.6587	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0088	0.0584	0.0887

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 7 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha	ChEMBL.	10052980
EC50 (functional)	= 7 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma	ChEMBL.	10052980
EC50 (functional)	= 7 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha	ChEMBL.	10052980
EC50 (functional)	= 7 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma	ChEMBL.	10052980
EC50 (functional)	= 14 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta	ChEMBL.	10052980
EC50 (functional)	= 14 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta	ChEMBL.	10052980
EC50 (functional)	= 34 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma	ChEMBL.	10052980
EC50 (functional)	= 46 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha	ChEMBL.	10052980
EC50 (functional)	= 165 nM	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta	ChEMBL.	10052980
Efficacy (functional)	= 6 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR alpha	ChEMBL.	10052980
Efficacy (functional)	= 6 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR alpha	ChEMBL.	10052980
Efficacy (functional)	= 10 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10052980
Efficacy (functional)	= 10 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10052980
Efficacy (functional)	= 13 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR gamma	ChEMBL.	10052980
Efficacy (functional)	= 13 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoic acid receptor RAR gamma	ChEMBL.	10052980
Efficacy (functional)	= 66 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR alpha	ChEMBL.	10052980
Efficacy (functional)	= 66 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR alpha	ChEMBL.	10052980
Efficacy (functional)	= 76 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10052980
Efficacy (functional)	= 76 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10052980
Efficacy (functional)	= 81 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10052980
Efficacy (functional)	= 81 %	Percent transcriptional activation relative to ATRA in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10052980
Ki (binding)	= 5 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 5 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 5 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 5 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 6 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 6 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 60 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 120 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	= 209 nM	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitive binding assay	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alpha	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR alpha	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta	ChEMBL.	10052980
Ki (binding)	> 10000 nM	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma	ChEMBL.	10052980

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: CHEMBL162334
PubChem: 9863934

Bibliographic References

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Detailed information for compound 279914