TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.797 | Formula: C18H11ClF3NO4S
H donors: 1 H acceptors: 2 LogP: 5.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1Oc1ccc(cc1Cl)C(F)(F)F)/C=C/1\SC(=O)NC1=O
InChi: 1S/C18H11ClF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)/b15-7-
InChiKey: USOPBKQVIILZGG-CHHVJCJISA-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	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	estrogen-related receptor alpha	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Brugia malayi	Steroid receptor seven-up type 2	estrogen-related receptor alpha	423 aa	358 aa	29.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	phosphoinositide-specific phospholipase C	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trypanosoma brucei	C2 domain containing protein, putative	0.0071	0.2549	1
Loa Loa (eye worm)	phosphatidylinositol 3-kinase catalytic subunit gamma	0.0071	0.2549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Trypanosoma brucei	C2 domain containing protein, putative	0.0071	0.2549	1
Leishmania major	copine i-like protein	0.0071	0.2549	1
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.0071	0.2549	0.2498
Leishmania major	c2 domain protein, putative	0.0071	0.2549	1
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Onchocerca volvulus		0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Echinococcus multilocularis	multiple C2 and transmembrane domain containing protein	0.0071	0.2549	0.2498
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Schistosoma mansoni	hypothetical protein	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trichomonas vaginalis	copine, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Echinococcus multilocularis	unc 13 (munc13)	0.0071	0.2549	0.2498
Trypanosoma brucei	C2 domain containing protein, putative	0.0071	0.2549	1
Onchocerca volvulus		0.0071	0.2549	1
Schistosoma mansoni	unc-13 (munc13)	0.0071	0.2549	0.2498
Trichomonas vaginalis	Circumsporozoite protein precursor, putative	0.0071	0.2549	0.5
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Echinococcus multilocularis	synaptotagmin 15	0.0071	0.2549	0.2498
Echinococcus multilocularis	NEDD4 E3 ubiquitin protein ligase WWP1	0.0071	0.2549	0.2498
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0358	0.1406
Echinococcus granulosus	NEDD4 E3 ubiquitin protein ligase WWP1	0.0071	0.2549	0.2498
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0071	0.2549	0.2498
Echinococcus granulosus	extended synaptotagmin 2	0.0071	0.2549	0.2498
Echinococcus granulosus	otoferlin	0.0071	0.2549	0.2498
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Schistosoma mansoni	fer-1-related	0.0071	0.2549	0.2498
Trypanosoma brucei	cAMP binding protein, putative	0.0071	0.2549	1
Echinococcus multilocularis	extended synaptotagmin 2	0.0071	0.2549	0.2498
Brugia malayi	Synapse defective protein 1	0.0071	0.2549	1
Onchocerca volvulus	Multiple C2 domain and transmembrane region protein homolog	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0071	0.2549	0.2498
Trypanosoma brucei	Coiled-coil and C2 domain-containing protein	0.0071	0.2549	1
Schistosoma mansoni	unc-13 (munc13)	0.0071	0.2549	0.2498
Echinococcus granulosus	UNCoordinated family member unc 13	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Brugia malayi	WW domain containing protein	0.0071	0.2549	1
Schistosoma mansoni	phospholipase C-like protein 2 plc-L2	0.0071	0.2549	0.2498
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0068	0.0267
Entamoeba histolytica	DENN domain protein	0.0071	0.2549	0.5
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Echinococcus granulosus	unc 13 munc13	0.0071	0.2549	0.2498
Echinococcus granulosus	protein piccolo	0.0071	0.2549	0.2498
Trypanosoma cruzi	Coiled-coil and C2 domain-containing protein	0.0071	0.2549	1
Trypanosoma cruzi	phosphoinositide-specific phospholipase C, putative	0.0071	0.2549	1
Trichomonas vaginalis	vab10 spectraplakin, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0068	0.0267
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Echinococcus multilocularis	synaptotagmin 2	0.0071	0.2549	0.2498
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Brugia malayi	Copine family protein	0.0071	0.2549	1
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Onchocerca volvulus		0.0071	0.2549	1
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Echinococcus multilocularis	synaptotagmin	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.2549	1
Echinococcus granulosus	active breakpoint cluster region	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0071	0.2549	1
Brugia malayi	calpain 5	0.0071	0.2549	1
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trichomonas vaginalis	copine, putative	0.0071	0.2549	0.5
Echinococcus multilocularis	protein piccolo	0.0071	0.2549	0.2498
Trypanosoma cruzi	cAMP binding protein, putative	0.0071	0.2549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Echinococcus granulosus	multiple C2 and transmembrane domain containing protein	0.0071	0.2549	0.2498
Brugia malayi	Copine VIII	0.0071	0.2549	1
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0071	0.2549	1
Trypanosoma cruzi	synaptotagmin, putative	0.0071	0.2549	1
Trypanosoma cruzi	C2 domain containing protein, putative	0.0071	0.2549	1
Echinococcus multilocularis	UNCoordinated family member (unc 13)	0.0071	0.2549	0.2498
Echinococcus multilocularis	neural cell expressed, developmentally	0.0071	0.2549	0.2498
Echinococcus multilocularis	copine 9	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0068	0.0267
Loa Loa (eye worm)	copine family protein	0.0071	0.2549	1
Echinococcus multilocularis	synaptotagmin	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Echinococcus multilocularis		0.0071	0.2549	0.2498
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0071	0.2549	0.2498
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Schistosoma mansoni	hypothetical protein	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Leishmania major	phospholipase c-like protein	0.0071	0.2549	1
Schistosoma mansoni	protein kinase C	0.0071	0.2549	0.2498
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0019	0.0358	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Onchocerca volvulus	Putative cc2d1b protein	0.0071	0.2549	1
Trichomonas vaginalis	calcium-dependent lipid-binding protein, putative	0.0071	0.2549	0.5
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Echinococcus granulosus	copine 9	0.0071	0.2549	0.2498
Brugia malayi	LD23056p	0.0071	0.2549	1
Trypanosoma cruzi	cytoskeleton associated protein, putative	0.0071	0.2549	1
Brugia malayi	Synaptotagmin protein 3	0.0071	0.2549	1
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.2549	1
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Leishmania major	c2 domain protein, putative	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Trichomonas vaginalis	splicing factor 3A subunit, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	Nedd4-PD	0.0071	0.2549	1
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trypanosoma brucei	C2 domain containing protein, putative	0.0071	0.2549	1
Echinococcus multilocularis	multiple C2 and transmembrane domain containing protein	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0071	0.2549	0.5
Schistosoma mansoni	mctp-related	0.0071	0.2549	0.2498
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0068	0.0267
Onchocerca volvulus		0.0071	0.2549	1
Schistosoma mansoni	synaptic ras gtpase activating protein syngap	0.0071	0.2549	0.2498
Echinococcus granulosus	synaptotagmin 2	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	Proline-rich protein, putative	0.0071	0.2549	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Echinococcus granulosus	myoferlin	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Echinococcus multilocularis	C2 calcium lipid binding region, CaLB	0.0071	0.2549	0.2498
Schistosoma mansoni	rab3 interacting molecule (rim)-related	0.0071	0.2549	0.2498
Schistosoma mansoni	otoferlin	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Schistosoma mansoni	synaptotagmin-like protein	0.0071	0.2549	0.2498
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0358	0.1406
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0358	0.117
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Echinococcus granulosus	protein kinase C gamma type	0.0071	0.2549	0.2498
Echinococcus granulosus	synaptotagmin	0.0071	0.2549	0.2498
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0071	0.2549	1
Loa Loa (eye worm)	synaptotagmin-1	0.0071	0.2549	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0068	0.0267
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Trypanosoma brucei	synaptotagmin, putative	0.0071	0.2549	1
Schistosoma mansoni	nedd-4-like E3 ubiquitin-protein ligase	0.0071	0.2549	0.2498
Trypanosoma brucei	predicted C2 domain protein	0.0071	0.2549	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	ion channel nompc, putative	0.0071	0.2549	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.2549	0.2498
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Trypanosoma brucei	predicted C2 domain protein	0.0071	0.2549	1
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Brugia malayi	Protein kinase c protein 2	0.0071	0.2549	1
Echinococcus multilocularis	synaptotagmin	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Trypanosoma cruzi	cytoskeleton associated protein, putative	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Schistosoma mansoni	rho gtpase activating protein	0.0071	0.2549	0.2498
Echinococcus granulosus	C2 calcium lipid binding region CaLB	0.0071	0.2549	0.2498
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Echinococcus granulosus	C2 calcium lipid binding region CaLB	0.0071	0.2549	0.2498
Brugia malayi	Synaptotagmin I	0.0071	0.2549	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0071	0.2549	0.2498
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.0071	0.2549	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Schistosoma mansoni	E3 ubiquitin-protein ligase nedd-4	0.0071	0.2549	0.2498
Echinococcus multilocularis	copine 9	0.0071	0.2549	0.2498
Echinococcus multilocularis	synaptotagmin	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0071	0.2549	0.2498
Trichomonas vaginalis	synaptotagmin, putative	0.0071	0.2549	0.5
Echinococcus granulosus	calpain 5	0.0071	0.2549	0.2498
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Echinococcus multilocularis	myoferlin	0.0071	0.2549	0.2498
Echinococcus multilocularis	synaptotagmin	0.0071	0.2549	0.2498
Onchocerca volvulus		0.0071	0.2549	1
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0071	0.2549	0.2498
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0068	0.0267
Echinococcus granulosus	intersectin 2	0.0071	0.2549	0.2498
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0071	0.2549	0.2498
Echinococcus multilocularis	active breakpoint cluster region	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	synaptotagmin 1, 3, C.elegans, putative	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Echinococcus granulosus	copine 9	0.0071	0.2549	0.2498
Schistosoma mansoni	copine	0.0071	0.2549	0.2498
Schistosoma mansoni	hypothetical protein	0.0071	0.2549	0.2498
Entamoeba histolytica	protein kinase, putative	0.0071	0.2549	0.5
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0358	0.117
Echinococcus granulosus	synaptotagmin	0.0071	0.2549	0.2498
Schistosoma mansoni	synaptotagmin	0.0071	0.2549	0.2498
Echinococcus multilocularis	serine threonine protein kinase	0.0071	0.2549	0.2498
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.2549	1
Trichomonas vaginalis	copine, putative	0.0071	0.2549	0.5
Echinococcus multilocularis	C2 calcium lipid binding region, CaLB	0.0071	0.2549	0.2498
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Trichomonas vaginalis	annexin VII, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0068	0.0267
Echinococcus granulosus	Immunoglobulin E set	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Echinococcus multilocularis	calpain 5	0.0071	0.2549	0.2498
Echinococcus granulosus	neural cell expressed developmentally	0.0071	0.2549	0.2498
Echinococcus granulosus	synaptotagmin protein 4	0.0071	0.2549	0.2498
Schistosoma mansoni	hypothetical protein	0.0071	0.2549	0.2498
Echinococcus granulosus	synaptotagmin	0.0071	0.2549	0.2498
Brugia malayi	Synapse defective protein 1	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0071	0.2549	1
Trypanosoma cruzi	synaptotagmin, putative	0.0071	0.2549	1
Echinococcus granulosus	synaptotagmin	0.0071	0.2549	0.2498
Entamoeba histolytica	calcium-binding protein, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trypanosoma brucei	C2 domain/Ankyrin repeats (3 copies), putative	0.0071	0.2549	1
Schistosoma mansoni	glut4 vesicle protein-related	0.0071	0.2549	0.2498
Entamoeba histolytica	C2 domain containing protein	0.0071	0.2549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0071	0.2549	0.2498
Brugia malayi	protein kinase C II.	0.0071	0.2549	1
Schistosoma mansoni	unc-13 (munc13)	0.0071	0.2549	0.2498
Onchocerca volvulus		0.0071	0.2549	1
Entamoeba histolytica	C2 domain protein, putative	0.0071	0.2549	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0071	0.2549	0.5
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Onchocerca volvulus		0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trypanosoma cruzi	C2 domain/Ankyrin repeats (3 copies), putative	0.0071	0.2549	1
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0071	0.2549	0.5
Brugia malayi	NEDD4.2	0.0071	0.2549	1
Echinococcus granulosus	multiple C2 and transmembrane domain containing protein	0.0071	0.2549	0.2498
Echinococcus multilocularis	intersectin 2	0.0071	0.2549	0.2498
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Schistosoma mansoni	synaptotagmin 12	0.0071	0.2549	0.2498
Echinococcus multilocularis	protein kinase c epsilon type	0.0071	0.2549	0.2498
Trichomonas vaginalis	synaptotagmin 1,2, putative	0.0071	0.2549	0.5
Loa Loa (eye worm)	C2 domain-containing protein	0.0071	0.2549	1
Echinococcus multilocularis	synaptotagmin protein 4	0.0071	0.2549	0.2498
Echinococcus granulosus	synaptotagmin	0.0071	0.2549	0.2498
Entamoeba histolytica	hypothetical protein	0.0071	0.2549	0.5
Echinococcus granulosus	synaptotagmin 15	0.0071	0.2549	0.2498
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.2549	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0068	0.0267
Trichomonas vaginalis	synaptotagmin 1, 3, C.elegans, putative	0.0071	0.2549	0.5
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0068	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Trichomonas vaginalis	copine, putative	0.0071	0.2549	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.2549	0.2498
Entamoeba histolytica	Rap/Ran GTPase activating protein, putative	0.0071	0.2549	0.5
Schistosoma mansoni	hypothetical protein	0.0071	0.2549	0.2498
Brugia malayi	C2 domain containing protein	0.0071	0.2549	1
Trichomonas vaginalis	copine, putative	0.0071	0.2549	0.5
Entamoeba histolytica	protein kinase, putative	0.0071	0.2549	0.5
Schistosoma mansoni	rabphilin-3a	0.0071	0.2549	0.2498
Trypanosoma brucei	predicted C2 domain protein	0.0071	0.2549	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0358	0.1406
Schistosoma mansoni	synaptotagmin 12	0.0071	0.2549	0.2498
Onchocerca volvulus		0.0071	0.2549	1
Brugia malayi	phospholipase C homolog	0.0071	0.2549	1
Trichomonas vaginalis	conserved hypothetical protein	0.0071	0.2549	0.5
Leishmania major	hypothetical protein, conserved	0.0071	0.2549	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.165 uM	Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay	ChEMBL.	21218783
IC50 (functional)	= 2.3 uM	Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay	ChEMBL.	21218783
IC50 (ADMET)	> 10 uM	Inhibition of CYP2D6	ChEMBL.	21218783
IC50 (ADMET)	> 10 uM	Inhibition of CYP3A4	ChEMBL.	21218783

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: CHEMBL1671965

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1506160