TDR Targets

Basic information

Technical information

TDR Targets ID: 209275
Name: (4-ethoxycarbonylphenyl) 1,4,4-trimethyl-2,3- dihydroquinoline-6-carboxylate
MW: 367.438 | Formula: C22H25NO4
H donors: 0 H acceptors: 2 LogP: 4.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)OC(=O)c1ccc2c(c1)C(C)(C)CCN2C
InChi: 1S/C22H25NO4/c1-5-26-20(24)15-6-9-17(10-7-15)27-21(25)16-8-11-19-18(14-16)22(2,3)12-13-23(19)4/h6-11,14H,5,12-13H2,1-4H3
InChiKey: UGHNUUSNQRGYRQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylic acid (4-ethoxycarbonylphenyl) ester
1,4,4-trimethyl-2,3-dihydroquinoline-6-carboxylic acid (4-carbethoxyphenyl) ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	retinoid X receptor gamma	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, alpha	Starlite/ChEMBL	References
Mus musculus	retinoid X receptor beta	Starlite/ChEMBL	References
Homo sapiens	retinoic acid receptor, beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	retinoic acid receptor rxr beta a	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
Loa Loa (eye worm)	nuclear receptor nhr-7B	Get druggable targets OG5_131607	All targets in OG5_131607
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
Schistosoma mansoni	retinoic acid receptor RXR	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0059	0.0628	0.089
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Brugia malayi	Nuclear hormone receptor-like 1	0.0059	0.0628	0.0666
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0059	0.0628	0.089
Brugia malayi	nuclear hormone receptor family member odr-7	0.0028	0.0061	0.0065
Brugia malayi	steroid hormone receptor	0.0059	0.0628	0.0666
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0198	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0059	0.0628	0.066
Schistosoma mansoni	retinoic acid receptor RXR	0.0376	0.643	1
Brugia malayi	nuclear receptor RXR	0.0031	0.0122	0.0129
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0059	0.0628	0.0977
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.3661	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0164	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0059	0.0628	0.089
Brugia malayi	hypothetical protein	0.0031	0.0122	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0059	0.0628	0.0666
Brugia malayi	hypothetical protein	0.0028	0.0061	0.0065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0059	0.0628	0.066
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0122	0.0124
Onchocerca volvulus		0.0047	0.0407	0.0348
Brugia malayi	beta-lactamase family protein	0.0035	0.0198	0.021
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Brugia malayi	Bromodomain containing protein	0.0073	0.0894	0.0948
Echinococcus granulosus	FTZ F1 alpha	0.0059	0.0628	0.089
Leishmania major	hypothetical protein, conserved	0.0035	0.0198	1
Brugia malayi	ecdysteroid receptor	0.0059	0.0628	0.0666
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0407	0.0426
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0059	0.0628	0.066
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0407	0.0596
Brugia malayi	nuclear receptor RXR	0.0028	0.0061	0.0065
Brugia malayi	photoreceptor-specific nuclear receptor	0.0059	0.0628	0.0666
Onchocerca volvulus	Protein ultraspiracle homolog	0.0059	0.0628	0.057
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0059	0.0628	0.089
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0198	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0621	0.0879
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0198	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0525	0.0556
Schistosoma mansoni	hypothetical protein	0.0033	0.0164	0.0161
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0059	0.0628	0.0666
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0059	0.0628	0.0666
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0198	0.5
Brugia malayi	mbt repeat family protein	0.0047	0.0407	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0198	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0028	0.0061	0.0065
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0197	0.0213
Brugia malayi	hypothetical protein	0.0031	0.0122	0.0129
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0525	0.0799
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0345	0.5863	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0198	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Schistosoma mansoni	thyroid hormone receptor	0.0059	0.0628	0.089
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0197	0.0233
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0031	0.0122	0.0095
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0059	0.0628	0.089
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0445	0.0472
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0445	0.0467
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0198	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0059	0.0628	0.089
Brugia malayi	Bromodomain containing protein	0.0037	0.0239	0.0253
Brugia malayi	beta-lactamase	0.0035	0.0198	0.021
Loa Loa (eye worm)	hypothetical protein	0.004	0.0283	0.0294
Loa Loa (eye worm)	DR-78	0.0028	0.0061	0.0059
Schistosoma mansoni	nuclear hormone receptor	0.0059	0.0628	0.089
Brugia malayi	beta-lactamase family protein	0.0035	0.0198	0.021
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0198	0.0204
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0059	0.0628	0.089
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0122	0.0095
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0059	0.0628	0.089
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0407	0.0543
Brugia malayi	nuclear receptor NHR-88	0.0028	0.0061	0.0065
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0621	0.0965
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0198	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0059	0.0628	0.0977
Brugia malayi	nuclear receptor NHR-67	0.0028	0.0061	0.0065
Brugia malayi	nuclear hormone receptor	0.0059	0.0628	0.0666
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0059	0.0628	0.0666
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0407	0.0543
Onchocerca volvulus		0.0059	0.0628	0.057
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0059	0.0628	0.089
Brugia malayi	Steroid receptor seven-up type 2	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0059	0.0628	0.0977
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0122	0.0129
Schistosoma mansoni	hypothetical protein	0.0283	0.4731	0.7333
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.0551
Schistosoma mansoni	thyroid hormone receptor	0.0059	0.0628	0.089
Trichomonas vaginalis	esterase, putative	0.0035	0.0198	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0059	0.0628	0.0666
Loa Loa (eye worm)	steroid hormone receptor	0.0059	0.0628	0.066
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0317	0.033
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0198	0.0236
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0059	0.0628	0.0666
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0031	0.0122	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Brugia malayi	hypothetical protein	0.0028	0.0061	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0059	0.0628	0.0666
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0198	0.5
Toxoplasma gondii	ABC1 family protein	0.0035	0.0198	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0028	0.0061	0.0059
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0184	0.2911	0.4474
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0028	0.0061	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0059	0.0628	0.0666
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0059	0.0628	0.089
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0059	0.0628	0.089
Loa Loa (eye worm)	hypothetical protein	0.0037	0.024	0.0249
Echinococcus multilocularis	FTZ F1 alpha	0.0059	0.0628	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0445	0.0467
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0059	0.0628	0.066
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0059	0.0628	0.0977
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0031	0.0122	0.0124
Mycobacterium ulcerans	lipase LipD	0.0035	0.0198	0.5
Brugia malayi	tailless protein	0.0028	0.0061	0.0065
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0525	0.0728
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0059	0.0628	0.0977
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0685	0.0979
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0198	0.5
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Brugia malayi	Nuclear hormone receptor E75	0.0028	0.0061	0.0065
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0376	0.643	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0031	0.0122	0.0105
Onchocerca volvulus		0.0035	0.0198	0.0138
Schistosoma mansoni	coup transcription factor	0.0059	0.0628	0.089
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0122	0.0124
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0407	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0164	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0059	0.0628	0.0977
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0059	0.0628	0.089
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0122	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Onchocerca volvulus		0.0035	0.0198	0.0138
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0198	0.0215
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0198	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0445	0.0472
Brugia malayi	nuclear receptor NHR-88	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0513	0.8927	0.9463
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0198	0.021
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0198	0.0204
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0407	0.0596
Brugia malayi	ecdysone receptor	0.0028	0.0061	0.0065
Brugia malayi	nuclear hormone receptor	0.0541	0.9433	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0198	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0059	0.0628	0.0977
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0028	0.0061	0.0065
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0198	0.0215
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0059	0.0628	0.066
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0407	0.0543
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0184	0.2911	0.4911
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0628	0.066
Echinococcus granulosus	ecdysone induced protein 78C	0.0059	0.0628	0.089
Loa Loa (eye worm)	MBCTL1	0.0053	0.0525	0.0551
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0525	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0122	0.0124
Onchocerca volvulus	Bile acid receptor homolog	0.0059	0.0628	0.057
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0028	0.0061	0.0065
Onchocerca volvulus		0.0035	0.0198	0.0138
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0407	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0818	0.0862
Brugia malayi	hypothetical protein	0.0025	0.0005	0.0006
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0005	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Schistosoma mansoni	RAR-like nuclear receptor	0.0059	0.0628	0.089
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0198	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0059	0.0628	0.066
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0059	0.0628	0.089
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0122	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0059	0.0628	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0198	0.0204
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0005	0.5
Brugia malayi	mbt repeat family protein	0.0047	0.0407	0.0431
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0198	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0059	0.0628	0.066
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0198	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0122	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0061	0.0059
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0407	0.0426
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0525	0.0728
Brugia malayi	Nuclear hormone receptor E75	0.0028	0.0061	0.0065
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0407	0.0543
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0059	0.0628	0.0977
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0541	0.9433	1
Brugia malayi	conserved hypotetical protein	0.0028	0.0061	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0059	0.0628	0.0666
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0525	0.0799
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0198	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0 nM	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma; No data	ChEMBL.	10479291
EC50 (functional)	= 20 nM	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10479291
EC50 (functional)	= 20 nM	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10479291
EC50 (functional)	= 33 nM	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10479291
EC50 (functional)	= 33 nM	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10479291
EC50 (functional)	= 256 nM	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10479291
EC50 (functional)	= 256 nM	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10479291
EC50 (functional)	= 601 nM	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha	ChEMBL.	10479291
EC50 (functional)	= 1128 nM	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor alpha	ChEMBL.	10479291
EC50 (functional)	= 1128 nM	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor alpha	ChEMBL.	10479291
Efficacy (functional)	= 0 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoic acid receptor RAR gamma	ChEMBL.	10479291
Efficacy (functional)	= 45 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoic acid receptor RAR alpha	ChEMBL.	10479291
Efficacy (functional)	= 45 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoic acid receptor RAR alpha	ChEMBL.	10479291
Efficacy (functional)	= 47 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoid X receptor RXR alpha	ChEMBL.	10479291
Efficacy (functional)	= 52 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10479291
Efficacy (functional)	= 52 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoid X receptor RXR gamma	ChEMBL.	10479291
Efficacy (functional)	= 53 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10479291
Efficacy (functional)	= 53 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoid X receptor RXR beta	ChEMBL.	10479291
Efficacy (functional)	= 64 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10479291
Efficacy (functional)	= 64 %	Percent transcriptional activation relative to 9-cis RA in CV-1 cells expressing Retinoic acid receptor RAR beta	ChEMBL.	10479291
Induction (binding)	= 37	The compound was evaluated for Tissue Transglutaminase induction	ChEMBL.	10479291
Inhibition (functional)	= 0 %	Percent of growth inhibition of Cell line Caov-3(Ovarian) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 0 %	Percent of growth inhibition of Cell line SKOV-3(Ovarian) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 0 %	Percent of growth inhibition of Cell line SKOV-3(Ovarian) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 12 %	Inhibition of SCC-2 cell proliferation	ChEMBL.	10543887
Inhibition (functional)	= 13 %	Inhibition of SCC-38 cell proliferation	ChEMBL.	10543887
Inhibition (functional)	= 13 %	Inhibition of SCC-38 cell proliferation	ChEMBL.	10543887
Inhibition (functional)	= 15 %	Percent of growth inhibition of Cell line SW962 (Vulvar) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 15 %	Percent of growth inhibition of Cell line SW962 (Vulvar) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 20 %	Percent of growth inhibition of Cell line SCC-2(Head and Neck) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 20 %	Percent of growth inhibition of Cell line SCC-38(Head and Neck) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 20 %	Percent of growth inhibition of Cell line SCC-38(Head and Neck) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 25 %	Percent inhibition of CC-1 cervical cell proliferation	ChEMBL.	10479291
Inhibition (functional)	= 35 %	Percent of growth inhibition of Cell line SW954 (Vulvar) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 35 %	Percent of growth inhibition of Cell line SW954 (Vulvar) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 40 %	Percent of growth inhibition of Cell line SiHa (Cervix) by the compound	ChEMBL.	10479291
Inhibition (functional)	= 40 %	Percent of growth inhibition of Cell line SiHa (Cervix) by the compound	ChEMBL.	10479291
Relative activity (functional)	= 54	Relative transcriptional activation activity of the compound relative to t-RA	ChEMBL.	9357524

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: CHEMBL422607
PubChem: 10384337

Bibliographic References

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 209275