TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.888 | Formula: C21H25ClN2O2
H donors: 1 H acceptors: 2 LogP: 5.29 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)C(C)C)NN(C(C)(C)C)C(=O)c1ccccc1Cl
InChi: 1S/C21H25ClN2O2/c1-14(2)15-10-12-16(13-11-15)19(25)23-24(21(3,4)5)20(26)17-8-6-7-9-18(17)22/h6-14H,1-5H3,(H,23,25)
InChiKey: BESRNNXBPJIRJI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Spodoptera frugiperda	Ecdysone receptor	Starlite/ChEMBL	No references
Drosophila melanogaster	ultraspiracle	Starlite/ChEMBL	References
Drosophila melanogaster	Ecdysone receptor		References
Spodoptera littoralis	Ecdysone receptor	Starlite/ChEMBL	References
Bombyx mori	Ecdysone receptor	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_134445	All targets in OG5_134445
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	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
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Onchocerca volvulus	Bile acid receptor homolog	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
Echinococcus multilocularis	ecdysone induced protein 78C	Ecdysone receptor	585 aa	476 aa	25.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.03	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0061	0.0278	0.1359
Echinococcus granulosus	epidermal growth factor receptor	0.0086	0.0431	0.2105
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0029	0.0078	0.0384
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0278	0.0572
Schistosoma mansoni	nuclear receptor nhr-48	0.0029	0.0078	0.0384
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0061	0.0278	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0061	0.0278	0.1359
Onchocerca volvulus	Protein ultraspiracle homolog	0.0061	0.0278	0.0417
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0061	0.0278	0.1359
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0188	0.0921
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0188	0.0921
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0188	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0278	0.0572
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0032	0.01	0.0488
Brugia malayi	Nuclear hormone receptor E75	0.0029	0.0078	0.0161
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Echinococcus multilocularis	epidermal growth factor receptor	0.0159	0.0887	0.0887
Schistosoma mansoni	tyrosine kinase	0.0085	0.0425	0.2077
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0188	0.0188
Brugia malayi	nuclear receptor NHR-88	0.0029	0.0078	0.0161
Loa Loa (eye worm)	RNA binding protein	0.0065	0.03	0.0617
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0078	0.0384
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0278	0.0572
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0061	0.0278	0.0572
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.03	0.1467
Schistosoma mansoni	tyrosine kinase	0.0159	0.0887	0.4337
Brugia malayi	orphan nuclear receptor NR2E1	0.0029	0.0078	0.0161
Onchocerca volvulus	Bile acid receptor homolog	0.0802	0.4865	1
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0278	0.1359
Schistosoma mansoni	tyrosine kinase	0.0051	0.0216	0.1054
Schistosoma mansoni	nuclear hormone receptor	0.0061	0.0278	0.1359
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0188	0.0387
Schistosoma mansoni	RAR-like nuclear receptor	0.0061	0.0278	0.1359
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0188	0.0921
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0283	0.1382
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0061	0.0278	0.0572
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0078	0.0384
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0283	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0029	0.0078	0.0161
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0283	0.0283
Trypanosoma cruzi	lanosterol synthase, putative	0.0665	0.4018	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0032	0.01	0.0205
Brugia malayi	nuclear hormone receptor	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Schistosoma mansoni	retinoic acid receptor RXR	0.022	0.1261	0.6163
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.01	0.0205
Schistosoma mansoni	tyrosine kinase	0.0086	0.0431	0.2105
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0347	0.2046	1
Loa Loa (eye worm)	DR-78	0.0029	0.0078	0.0161
Brugia malayi	steroid hormone receptor	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0086	0.0431	0.2105
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0633	0.1302
Schistosoma mansoni	tyrosine kinase	0.0085	0.0425	0.2077
Brugia malayi	nuclear receptor RXR	0.0029	0.0078	0.0161
Brugia malayi	nuclear hormone receptor family member odr-7	0.0029	0.0078	0.0161
Brugia malayi	hypothetical protein	0.0032	0.01	0.0205
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0029	0.0078	0.0161
Echinococcus multilocularis	nuclear receptor nhr 48	0.0029	0.0078	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0061	0.0278	0.0572
Loa Loa (eye worm)	steroid hormone receptor	0.0061	0.0278	0.0572
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0061	0.0278	0.0572
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0051	0.0216	0.0216
Brugia malayi	nuclear receptor RXR	0.0032	0.01	0.0205
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0061	0.0278	0.0572
Schistosoma mansoni	tyrosine kinase	0.0051	0.0216	0.1054
Echinococcus multilocularis	epidermal growth factor receptor	0.0086	0.0431	0.0431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0061	0.0278	0.0572
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0061	0.0278	0.0572
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0061	0.0278	0.0572
Loa Loa (eye worm)	TK/INSR protein kinase	0.0051	0.0216	0.0443
Echinococcus granulosus	ecdysone induced protein 78C	0.0061	0.0278	0.1359
Echinococcus multilocularis	ecdysone induced protein 78C	0.0061	0.0278	0.0278
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0061	0.0278	0.0572
Brugia malayi	hypothetical protein	0.0029	0.0078	0.0161
Leishmania major	lanosterol synthase, putative	0.0665	0.4018	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0159	0.0887	0.1824
Brugia malayi	TAR-binding protein	0.0065	0.03	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0051	0.0216	0.1054
Brugia malayi	conserved hypotetical protein	0.0029	0.0078	0.0161
Echinococcus granulosus	tar DNA binding protein	0.0065	0.03	0.1467
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.03	0.1467
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0347	0.2046	0.4206
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0061	0.0278	0.0417
Echinococcus multilocularis		0.0049	0.0206	0.0206
Brugia malayi	hypothetical protein	0.0029	0.0078	0.0161
Brugia malayi	ecdysteroid receptor	0.0802	0.4865	1
Schistosoma mansoni	coup transcription factor	0.0061	0.0278	0.1359
Brugia malayi	ecdysone receptor	0.0029	0.0078	0.0161
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0029	0.0078	0.0384
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0029	0.0078	0.0161
Brugia malayi	nuclear hormone receptor	0.0061	0.0278	0.0572
Brugia malayi	Nuclear hormone receptor-like 1	0.0061	0.0278	0.0572
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0061	0.0278	0.1359
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0188	0.1061	0.1061
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0078	0.0078
Echinococcus granulosus	thyroid hormone receptor alpha	0.0029	0.0078	0.0384
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0029	0.0078	0.0384
Brugia malayi	Nuclear hormone receptor E75	0.0029	0.0078	0.0161
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.03	0.1467
Brugia malayi	tailless protein	0.0029	0.0078	0.0161
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0061	0.0278	0.0572
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0347	0.2046	0.4206
Brugia malayi	RNA binding protein	0.0065	0.03	0.0617
Trypanosoma brucei	lanosterol synthase	0.0665	0.4018	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.03	0.03
Echinococcus granulosus	FTZ F1 alpha	0.0061	0.0278	0.1359
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0061	0.0278	0.1359
Schistosoma mansoni	thyroid hormone receptor	0.0061	0.0278	0.1359
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.03	0.1467
Brugia malayi	Steroid receptor seven-up type 2	0.0061	0.0278	0.0572
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0061	0.0278	0.0572
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0061	0.0278	0.0278
Brugia malayi	hypothetical protein	0.0032	0.01	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0029	0.0078	0.0384
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0283	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0032	0.01	0.0205
Echinococcus granulosus	insulin receptor	0.0051	0.0216	0.1054
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.01	0.0205
Schistosoma mansoni	tyrosine kinase	0.0085	0.0425	0.2077
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0061	0.0278	0.0278
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0442	0.2638	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0029	0.0078	0.0161
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0278	0.1359
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0029	0.0078	0.0078
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0061	0.0278	0.0572
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0278	0.0278
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0032	0.01	0.0205
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0188	0.0921
Brugia malayi	photoreceptor-specific nuclear receptor	0.0061	0.0278	0.0572
Echinococcus multilocularis	insulin receptor	0.0051	0.0216	0.0216
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0078	0.0384
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0061	0.0278	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0283	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0061	0.0278	0.1359
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0061	0.0278	0.0572
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.01	0.0488
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.03	0.0617
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0061	0.0278	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0032	0.01	0.0205
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0216	0.0443
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.03	0.1467
Brugia malayi	nuclear receptor NHR-67	0.0029	0.0078	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0283	0.1382
Schistosoma mansoni	zinc finger protein	0.0029	0.0078	0.0384
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0032	0.01	0.0488
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0802	0.4865	1
Echinococcus multilocularis	FTZ F1 alpha	0.0061	0.0278	0.0278
Echinococcus granulosus	epidermal growth factor receptor	0.0159	0.0887	0.4337
Trypanosoma cruzi	lanosterol synthase, putative	0.0665	0.4018	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0283	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0278	0.0572
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0061	0.0278	0.0278
Schistosoma mansoni	nuclear receptor	0.0029	0.0078	0.0384
Brugia malayi	Furin-like cysteine rich region family protein	0.0159	0.0887	0.1824
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0188	0.0921
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0061	0.0278	0.1359
Echinococcus granulosus	nuclear receptor nhr 48	0.0029	0.0078	0.0384
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.022	0.1261	0.6163
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0029	0.0078	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0032	0.01	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0283	0.1382
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0032	0.01	0.0205
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0061	0.0278	0.1359
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0061	0.0278	0.1359
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0283	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0032	0.01	0.01
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0283	0.1072
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0633	0.1302
Schistosoma mansoni	tyrosine kinase	0.0086	0.0431	0.2105
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0029	0.0078	0.0078
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0061	0.0278	0.0278
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0347	0.2046	0.2046
Schistosoma mansoni	nuclear receptor	0.0029	0.0078	0.0384
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0061	0.0278	0.1359
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.03	0.0617
Onchocerca volvulus		0.0061	0.0278	0.0417
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0029	0.0078	0.0078
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0347	0.2046	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0161
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0188	0.0188
Brugia malayi	nuclear receptor NHR-88	0.0061	0.0278	0.0572
Brugia malayi	MH2 domain containing protein	0.0118	0.0633	0.1302
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0061	0.0278	0.1359
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0061	0.0278	0.0572

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 4.92	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
EC50 (binding)	= 7.61	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
EC50 (binding)	= 7.76	Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20069627
EC50 (binding)	= 8.18	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20069627
Efficacy (binding)	= 88 %	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells at 100 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone	ChEMBL.	20672340
Efficacy (binding)	= 95 %	Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide	ChEMBL.	20069627
Efficacy (binding)	= 116 %	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide	ChEMBL.	20069627
IC50 (binding)	= 7.82	Displacement of [3H]PonA from ecdysone receptor in Spodoptera frugiperda (fall armyworm) Sf-9 cells after 30 min by liquid scintillation counting	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2286428

Bibliographic References

1 literature reference was 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 1803509