TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 400.324 | Formula: C20H15Cl2N3S
H donors: 1 H acceptors: 0 LogP: 5.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC(=S)N1N=C(CC1c1ccc2c(c1)cccc2)c1ccc(c(c1)Cl)Cl
InChi: 1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)
InChiKey: PMNCGPKTYMEYRZ-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
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References
Homo sapiens	protein tyrosine kinase 2	Starlite/ChEMBL	References
Homo sapiens	erb-b2 receptor tyrosine kinase 2	Starlite/ChEMBL	References
Homo sapiens	epidermal growth factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	protein tyrosine kinase	Get druggable targets OG5_130513	All targets in OG5_130513
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130513	All targets in OG5_130513
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_130513	All targets in OG5_130513
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	protein tyrosine kinase	Get druggable targets OG5_130513	All targets in OG5_130513
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130513	All targets in OG5_130513
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130513	All targets in OG5_130513
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/FAK protein kinase	Get druggable targets OG5_130513	All targets in OG5_130513
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Protein tyrosine kinase 2 beta, putative	Get druggable targets OG5_130513	All targets in OG5_130513
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0117	0.0597	0.0597
Echinococcus granulosus	histone deacetylase 8	0.0317	0.3574	0.3574
Brugia malayi	Histone deacetylase family protein	0.067	0.8845	0.9078
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0212	0.2004	0.2004
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0212	0.2004	0.2056
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0449	0.5541	0.5541
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0449	0.5541	1
Echinococcus granulosus	histone deacetylase 3	0.073	0.9744	0.9744
Brugia malayi	histone deacetylase 3 (HD3)	0.073	0.9744	1
Schistosoma mansoni	thyroid hormone receptor	0.0449	0.5541	0.5541
Trypanosoma brucei	histone deacetylase, putative	0.067	0.8845	0.9078
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0449	0.5541	0.5541
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2382	0.2445
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Schistosoma mansoni	nuclear receptor	0.0212	0.2004	0.2004
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0212	0.2004	0.2004
Loa Loa (eye worm)	hypothetical protein	0.0353	0.4117	0.4225
Schistosoma mansoni	nuclear receptor	0.0212	0.2004	0.2004
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0449	0.5541	0.5541
Brugia malayi	Nuclear hormone receptor E75	0.0212	0.2004	0.2056
Brugia malayi	Histone deacetylase family protein	0.067	0.8845	0.9078
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0449	0.5541	0.5541
Loa Loa (eye worm)	histone deacetylase 3	0.073	0.9744	1
Schistosoma mansoni	tyrosine kinase	0.0191	0.1703	0.1703
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0449	0.5541	0.5541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0449	0.5541	0.5541
Brugia malayi	hypothetical protein	0.0212	0.2004	0.2056
Echinococcus multilocularis	histone deacetylase 1	0.073	0.9744	0.9744
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Schistosoma mansoni	histone deacetylase 1 2 3	0.0317	0.3574	0.3574
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Schistosoma mansoni	zinc finger protein	0.0212	0.2004	0.2004
Plasmodium falciparum	histone deacetylase 1	0.073	0.9744	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0362	0.4255	0.4367
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2382	0.2445
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0186	0.1619	0.1662
Schistosoma mansoni	nuclear hormone receptor	0.0212	0.2004	0.2004
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0449	0.5541	0.5541
Loa Loa (eye worm)	TK/INSR protein kinase	0.0117	0.0597	0.0613
Brugia malayi	ecdysteroid receptor	0.0449	0.5541	0.5686
Onchocerca volvulus	Protein ultraspiracle homolog	0.0449	0.5541	1
Brugia malayi	nuclear receptor RXR	0.0212	0.2004	0.2056
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.073	0.9744	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0449	0.5541	0.5541
Echinococcus multilocularis	nuclear receptor nhr 48	0.0212	0.2004	0.2004
Trypanosoma brucei	histone deacetylase 1	0.073	0.9744	1
Schistosoma mansoni	histone deacetylase hda2	0.0317	0.3574	0.3574
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0449	0.5541	0.5686
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0449	0.5541	0.5686
Toxoplasma gondii	histone deacetylase HDAC3	0.073	0.9744	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0212	0.2004	0.2056
Echinococcus granulosus	thyroid hormone receptor alpha	0.0212	0.2004	0.2004
Brugia malayi	nuclear hormone receptor family member odr-7	0.0212	0.2004	0.2056
Schistosoma mansoni	histone deacetylase 4 5	0.067	0.8845	0.8845
Loa Loa (eye worm)	hypothetical protein	0.0317	0.3574	0.3668
Schistosoma mansoni	histone deacetylase	0.073	0.9744	0.9744
Loa Loa (eye worm)	hypothetical protein	0.073	0.9744	1
Trypanosoma brucei	histone deacetylase 4	0.067	0.8845	0.9078
Brugia malayi	Nuclear hormone receptor-like 1	0.0237	0.2382	0.2445
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0212	0.2004	0.2004
Loa Loa (eye worm)	histone deacetylase 11	0.0317	0.3574	0.3668
Echinococcus granulosus	epidermal growth factor receptor	0.0196	0.1768	0.1768
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0212	0.2004	0.2004
Echinococcus granulosus	nuclear receptor nhr 48	0.0212	0.2004	0.2004
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.073	0.9744	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0212	0.2004	0.2004
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0212	0.2004	0.2004
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0212	0.2004	0.3616
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Echinococcus granulosus	histone deacetylase 1	0.073	0.9744	0.9744
Loa Loa (eye worm)	histone deacetylase	0.067	0.8845	0.9078
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0449	0.5541	0.5541
Brugia malayi	photoreceptor-specific nuclear receptor	0.0449	0.5541	0.5686
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0449	0.5541	0.5686
Echinococcus granulosus	histone deacetylase 6	0.067	0.8845	0.8845
Schistosoma mansoni	thyroid hormone receptor	0.0449	0.5541	0.5541
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2382	0.2445
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0449	0.5541	0.5541
Brugia malayi	nuclear receptor NHR-88	0.0212	0.2004	0.2056
Echinococcus granulosus	ecdysone induced protein 78C	0.0449	0.5541	0.5541
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0449	0.5541	0.5686
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0449	0.5541	0.5541
Brugia malayi	steroid hormone receptor	0.0449	0.5541	0.5686
Brugia malayi	Histone deacetylase 1	0.073	0.9744	1
Brugia malayi	nuclear receptor RXR	0.0237	0.2382	0.2445
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0212	0.2004	0.3616
Echinococcus granulosus	FTZ F1 alpha	0.0449	0.5541	0.5541
Trypanosoma cruzi	histone deacetylase, putative	0.067	0.8845	0.9078
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0362	0.4255	0.4367
Trypanosoma brucei	histone deacetylase 2	0.0317	0.3574	0.3668
Onchocerca volvulus		0.0212	0.2004	0.3616
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0186	0.1619	0.1662
Echinococcus granulosus	protein tyrosine kinase	0.0308	0.3445	0.3445
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Onchocerca volvulus		0.0212	0.2004	0.3616
Schistosoma mansoni	tyrosine kinase	0.0196	0.1768	0.1768
Echinococcus multilocularis		0.0111	0.0509	0.0509
Echinococcus multilocularis	protein tyrosine kinase	0.0308	0.3445	0.3445
Loa Loa (eye worm)	DR-78	0.0212	0.2004	0.2056
Brugia malayi	Protein kinase domain containing protein	0.0117	0.0597	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Echinococcus granulosus	histone deacetylase	0.067	0.8845	0.8845
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0449	0.5541	0.5686
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0237	0.2382	0.2382
Schistosoma mansoni	tyrosine kinase	0.0362	0.4255	0.4255
Schistosoma mansoni	tyrosine kinase	0.0196	0.1768	0.1768
Plasmodium falciparum	histone deacetylase, putative	0.067	0.8845	0.9078
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0449	0.5541	0.5686
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0196	0.1768	0.1768
Toxoplasma gondii	histone deacetylase HDAC2	0.073	0.9744	1
Brugia malayi	Steroid receptor seven-up type 2	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Echinococcus granulosus	histone deacetylase 7	0.067	0.8845	0.8845
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Onchocerca volvulus		0.0167	0.1332	0.2405
Brugia malayi	orphan nuclear receptor NR2E1	0.0212	0.2004	0.2056
Plasmodium vivax	histone deacetylase 1, putative	0.073	0.9744	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0237	0.2382	0.2382
Schistosoma mansoni	tyrosine kinase	0.0191	0.1703	0.1703
Onchocerca volvulus		0.0449	0.5541	1
Schistosoma mansoni	nuclear hormone receptor	0.0212	0.2004	0.2004
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0212	0.2004	0.2056
Plasmodium vivax	histone deacetylase 2, putative	0.067	0.8845	0.9078
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0117	0.0597	0.0597
Brugia malayi	hypothetical protein	0.0237	0.2382	0.2445
Schistosoma mansoni	nuclear hormone receptor	0.0449	0.5541	0.5541
Echinococcus multilocularis	histone deacetylase 6	0.067	0.8845	0.8845
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0212	0.2004	0.2004
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0212	0.2004	0.2004
Echinococcus multilocularis	FTZ F1 alpha	0.0449	0.5541	0.5541
Trypanosoma cruzi	histone deacetylase, putative	0.0317	0.3574	0.3668
Schistosoma mansoni	histone deacetylase 4 5	0.067	0.8845	0.8845
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0449	0.5541	0.5541
Echinococcus granulosus	epidermal growth factor receptor	0.0362	0.4255	0.4255
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0449	0.5541	0.5686
Echinococcus granulosus	insulin receptor	0.0117	0.0597	0.0597
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0237	0.2382	0.2445
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0449	0.5541	0.5686
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Giardia lamblia	Histone deacetylase	0.073	0.9744	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Brugia malayi	histone deacetylase 11	0.0317	0.3574	0.3668
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Loa Loa (eye worm)	histone deacetylase 1	0.073	0.9744	1
Onchocerca volvulus	Bile acid receptor homolog	0.0449	0.5541	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0449	0.5541	0.5686
Trypanosoma cruzi	histone deacetylase 1, putative	0.073	0.9744	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.073	0.9744	1
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2382	0.2445
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0212	0.2004	0.2056
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0449	0.5541	0.5686
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0449	0.5541	0.5541
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0449	0.5541	0.5686
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0449	0.5541	0.5541
Echinococcus multilocularis	histone deacetylase 3	0.073	0.9744	0.9744
Toxoplasma gondii	histone deacetylase HDAC1	0.067	0.8845	0.9078
Trypanosoma brucei	histone deacetylase 3	0.067	0.8845	0.9078
Onchocerca volvulus	Tyrosine kinase homolog	0.0174	0.144	0.2599
Brugia malayi	ecdysone receptor	0.0212	0.2004	0.2056
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0449	0.5541	0.5541
Toxoplasma gondii	histone deacetylase HDAC5	0.0317	0.3574	0.3668
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0237	0.2382	0.2382
Echinococcus granulosus	histone deacetylase 6	0.067	0.8845	0.8845
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0449	0.5541	0.5686
Schistosoma mansoni	tyrosine kinase	0.0191	0.1703	0.1703
Brugia malayi	hypothetical protein	0.0237	0.2382	0.2445
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0317	0.3574	0.645
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0449	0.5541	0.5541
Schistosoma mansoni	tyrosine kinase	0.0117	0.0597	0.0597
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0212	0.2004	0.2004
Leishmania major	histone deacetylase, putative	0.067	0.8845	0.9078
Trypanosoma cruzi	histone deacetylase, putative	0.067	0.8845	0.9078
Brugia malayi	Nuclear hormone receptor-like 1	0.0237	0.2382	0.2445
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0212	0.2004	0.2004
Echinococcus multilocularis	insulin receptor	0.0117	0.0597	0.0597
Plasmodium vivax	histone deacetylase, putative	0.067	0.8845	0.9078
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2382	0.2445
Loa Loa (eye worm)	hypothetical protein	0.0431	0.5272	0.541
Echinococcus multilocularis	ecdysone induced protein 78C	0.0449	0.5541	0.5541
Schistosoma mansoni	histone deacetylase	0.073	0.9744	0.9744
Plasmodium vivax	histone deacetylase, putative	0.0317	0.3574	0.3668
Brugia malayi	conserved hypotetical protein	0.0212	0.2004	0.2056
Echinococcus multilocularis	histone deacetylase 7	0.067	0.8845	0.8845
Echinococcus multilocularis	histone deacetylase 8	0.0317	0.3574	0.3574
Echinococcus multilocularis	histone deacetylase	0.067	0.8845	0.8845
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0449	0.5541	0.5541
Echinococcus multilocularis	histone deacetylase 6	0.067	0.8845	0.8845
Brugia malayi	Nuclear hormone receptor E75	0.0212	0.2004	0.2056
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0449	0.5541	0.5686
Brugia malayi	hypothetical protein	0.0212	0.2004	0.2056
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0449	0.5541	0.5541
Brugia malayi	Nuclear hormone receptor-like 1	0.0449	0.5541	0.5686
Leishmania major	histone deacetylase, putative	0.073	0.9744	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.073	0.9744	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0237	0.2382	0.2382
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0449	0.5541	0.5541
Loa Loa (eye worm)	hypothetical protein	0.0449	0.5541	0.5686
Loa Loa (eye worm)	nuclear hormone receptor	0.0212	0.2004	0.2056
Entamoeba histolytica	histone deacetylase, putative	0.073	0.9744	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0212	0.2004	0.2004
Schistosoma mansoni	tyrosine kinase	0.0308	0.3445	0.3445
Echinococcus multilocularis	epidermal growth factor receptor	0.0196	0.1768	0.1768
Brugia malayi	nuclear receptor NHR-67	0.0212	0.2004	0.2056
Loa Loa (eye worm)	TK/FAK protein kinase	0.0312	0.3499	0.3591
Brugia malayi	histone deacetylase 1 (HD1)	0.073	0.9744	1
Schistosoma mansoni	tyrosine kinase	0.0117	0.0597	0.0597
Trypanosoma cruzi	histone deacetylase, putative	0.067	0.8845	0.9078
Brugia malayi	nuclear hormone receptor	0.0449	0.5541	0.5686
Toxoplasma gondii	histone deacetylase HDAC4	0.0317	0.3574	0.3668
Trypanosoma cruzi	histone deacetylase, putative	0.0317	0.3574	0.3668
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Brugia malayi	nuclear hormone receptor	0.0212	0.2004	0.2056
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0449	0.5541	0.5686
Leishmania major	histone deacetylase, putative	0.073	0.9744	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0212	0.2004	0.2004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0449	0.5541	0.5541
Leishmania major	histone deacetylase, putative	0.067	0.8845	0.9078
Brugia malayi	tailless protein	0.0212	0.2004	0.2056
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0449	0.5541	0.5541
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2004	0.2056
Loa Loa (eye worm)	histone deacetylase 7A	0.067	0.8845	0.9078
Schistosoma mansoni	retinoic acid receptor RXR	0.0449	0.5541	0.5541
Plasmodium falciparum	histone deacetylase 2	0.067	0.8845	0.9078
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0449	0.5541	0.5686
Echinococcus multilocularis	epidermal growth factor receptor	0.0362	0.4255	0.4255
Loa Loa (eye worm)	steroid hormone receptor	0.0449	0.5541	0.5686
Schistosoma mansoni	coup transcription factor	0.0449	0.5541	0.5541
Brugia malayi	Protein kinase domain containing protein	0.0312	0.3499	0.3591
Schistosoma mansoni	RAR-like nuclear receptor	0.0449	0.5541	0.5541
Trichomonas vaginalis	histone deacetylase, putative	0.073	0.9744	1
Brugia malayi	nuclear receptor NHR-88	0.0449	0.5541	0.5686
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0449	0.5541	0.5686

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 0.35 uM	Antiproliferative activity against human MCF7 cells after 24 hrs by MTT assay	ChEMBL.	23391364
IC50 (binding)	= 0.66 uM	Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr	ChEMBL.	23391364
IC50 (binding)	= 0.88 uM	Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr	ChEMBL.	23391364
IC50 (binding)	= 3.2 uM	Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay	ChEMBL.	23391364
IC50 (binding)	= 9.9 uM	Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay	ChEMBL.	23391364
IC50 (binding)	= 51.7 uM	Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr	ChEMBL.	23391364
Ratio IC50 (binding)	= 1.33	Selectivity ratio of IC50 for human HER2 cytoplasmic domain (676 to 1245) to IC50 for recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin)	ChEMBL.	23391364

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: CHEMBL2325087

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1725801