TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 828.822 | Formula: C45H51Cl2N5O6
H donors: 2 H acceptors: 2 LogP: 9.33 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1)c(NCCCN(CC1OC(OC1C1COC(O1)(C)C)(C)C)CCCNc1c3cc(OC)ccc3nc3c1ccc(c3)Cl)c1c(n2)cc(cc1)Cl
InChi: 1S/C45H51Cl2N5O6/c1-44(2)55-26-40(57-44)43-39(56-45(3,4)58-43)25-52(19-7-17-48-41-31-13-9-27(46)21-37(31)50-35-15-11-29(53-5)23-33(35)41)20-8-18-49-42-32-14-10-28(47)22-38(32)51-36-16-12-30(54-6)24-34(36)42/h9-16,21-24,39-40,43H,7-8,17-20,25-26H2,1-6H3,(H,48,50)(H,49,51)
InChiKey: KXHXDBKKINKVSR-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.002	0.0165	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0083
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0025	0.0344	0.0588
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0025	0.0344	0.3611
Entamoeba histolytica	protein kinase, putative	0.002	0.0165	0.2148
Loa Loa (eye worm)	steroid hormone receptor	0.0025	0.0344	0.0548
Brugia malayi	putative neuropeptide receptor	0.0019	0.013	0.0223
Onchocerca volvulus		0.0019	0.013	0.1364
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0001	0.0001
Echinococcus multilocularis	protein kinase c epsilon type	0.0033	0.0594	0.0594
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.002	0.0182	0.029
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0033	0.0594	0.0945
Brugia malayi	Protein kinase domain containing protein	0.002	0.0165	0.0281
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0636	0.085
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Echinococcus multilocularis	protein kinase c iota type	0.022	0.6444	0.6444
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0344	0.046
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0025	0.0344	0.0344
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0025	0.0344	0.046
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0019	0.013	0.0174
Schistosoma mansoni	retinoic acid receptor RXR	0.0025	0.0344	0.046
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0025	0.0344	0.0344
Echinococcus granulosus	FTZ F1 alpha	0.0025	0.0344	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0594	0.0793
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0019	0.013	0.013
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Onchocerca volvulus		0.0019	0.013	0.1364
Brugia malayi	nuclear receptor NHR-88	0.0025	0.0344	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Brugia malayi	Melatonin receptor type 1A	0.0019	0.013	0.0223
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus multilocularis	serine threonine protein kinase	0.002	0.0165	0.0165
Toxoplasma gondii	cathepsin B	0.0035	0.0636	0.947
Schistosoma mansoni	atypical protein kinase C	0.0234	0.6873	0.9189
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0025	0.0344	0.046
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0031	0.0527	0.0527
Brugia malayi	neuropeptide F receptor	0.0019	0.013	0.0223
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0019	0.013	0.0208
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0045	0.0952	1
Brugia malayi	sulfakinin receptor protein	0.0019	0.013	0.0223
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.002	0.0165	0.0165
Onchocerca volvulus	Matrilysin homolog	0.0045	0.0952	1
Brugia malayi	RE15519p	0.0019	0.013	0.0223
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0025	0.0344	0.0344
Entamoeba histolytica	protein kinase, putative	0.002	0.0165	0.2148
Schistosoma mansoni	coup transcription factor	0.0025	0.0344	0.046
Echinococcus multilocularis	Ras protein Rap 1b	0.0016	0.0052	0.0052
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0105	0.2841	0.3798
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0036	0.0662	0.0662
Brugia malayi	Hemopexin family protein	0.0029	0.0446	0.0763
Brugia malayi	Serotonin receptor	0.0019	0.013	0.0223
Loa Loa (eye worm)	Ras protein let-60	0.0033	0.0575	0.0916
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.013	0.0174
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0344	0.046
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.013	0.013
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0019	0.013	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus granulosus	orexin receptor type 2	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0019	0.013	0.013
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.013	0.013
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0019	0.013	0.013
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0105	0.2841	0.3798
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0019	0.013	0.013
Schistosoma mansoni	amine GPCR	0.0019	0.013	0.0174
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0019	0.013	0.013
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0025	0.0344	0.0588
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0019	0.013	0.0223
Onchocerca volvulus	Matrilysin homolog	0.002	0.0182	0.1906
Onchocerca volvulus		0.0019	0.013	0.1364
Loa Loa (eye worm)	AGC/NDR protein kinase	0.002	0.0165	0.0262
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0025	0.0344	0.0344
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0025	0.0344	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Onchocerca volvulus		0.0025	0.0344	0.3611
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0035	0.0636	1
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0594	0.0793
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0025	0.0344	0.0548
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.002	0.0165	0.0262
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	hypothetical protein	0.0019	0.013	0.0174
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.013	0.013
Brugia malayi	G-protein coupled receptor	0.0019	0.013	0.0223
Onchocerca volvulus		0.0019	0.013	0.1364
Brugia malayi	follicle stimulating hormone receptor	0.0019	0.013	0.0223
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0019	0.013	0.0223
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0025	0.0344	0.046
Schistosoma mansoni	biogenic amine receptor	0.0019	0.013	0.0174
Schistosoma mansoni	neuropeptide f receptor 76f	0.0019	0.013	0.0174
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0036	0.0662	0.0662
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0019	0.013	0.013
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0025	0.0344	0.0344
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Brugia malayi	neuropeptide F receptor	0.0019	0.013	0.0223
Schistosoma mansoni	neuropeptide receptor	0.0019	0.013	0.0174
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0073	0.1849	0.1849
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.013	0.0174
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0048	0.1052	0.1406
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.013	0.013
Brugia malayi	putative neuropeptide receptor NPR1	0.0019	0.013	0.0223
Echinococcus granulosus	Ras protein Rap 1b	0.0016	0.0052	0.0052
Schistosoma mansoni	opsin-like receptor	0.0019	0.013	0.0174
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0019	0.013	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Schistosoma mansoni	neuropeptide receptor	0.0019	0.013	0.0174
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.013	0.013
Mycobacterium leprae	PROBABLE HYDROLASE	0.0025	0.032	0.5
Echinococcus granulosus	allatostatin A receptor	0.0019	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0019	0.013	0.0174
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0344	0.0588
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0025	0.0344	0.046
Loa Loa (eye worm)	cathepsin B	0.0035	0.0636	0.1012
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	Protein kinase domain containing protein	0.002	0.0165	0.0281
Trichomonas vaginalis	ral, putative	0.0033	0.0575	0.8962
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0019	0.013	0.0174
Entamoeba histolytica	Ras family GTPase	0.0033	0.0575	1
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.013	0.013
Brugia malayi	photoreceptor-specific nuclear receptor	0.0025	0.0344	0.0588
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	TYRA-2 protein	0.0019	0.013	0.0208
Brugia malayi	AKH receptor	0.0019	0.013	0.0223
Brugia malayi	Matrixin family protein	0.002	0.0182	0.0311
Schistosoma mansoni	amine GPCR	0.0019	0.013	0.0174
Echinococcus multilocularis	serine:threonine protein kinase N2	0.002	0.0165	0.0165
Echinococcus granulosus	NDR protein kinase	0.002	0.0165	0.0165
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.002	0.0165	0.0165
Schistosoma mansoni	serine/threonine kinase	0.002	0.0165	0.022
Brugia malayi	ORL1-like opioid receptor	0.0019	0.013	0.0223
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.013	0.013
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.002	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	Ras protein Rap 1b	0.0016	0.0052	0.0052
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0019	0.013	0.0208
Brugia malayi	Dopamine receptor	0.0019	0.013	0.0223
Echinococcus granulosus	somatostatin receptor	0.0019	0.013	0.013
Brugia malayi	RAP1B, member of RAS oncogene family	0.0016	0.0052	0.0089
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	AGC/AKT protein kinase	0.002	0.0165	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0105	0.2841	0.3798
Onchocerca volvulus		0.0019	0.013	0.1364
Brugia malayi	p70 ribosomal S6 kinase beta	0.002	0.0165	0.0281
Schistosoma mansoni	amine GPCR	0.0019	0.013	0.0174
Echinococcus multilocularis	cathepsin b	0.0105	0.2841	0.2841
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0344	0.046
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0033	0.0594	0.0594
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	ras gtpase	0.0033	0.0575	0.0575
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0344	0.0588
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0025	0.0344	0.0344
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.002	0.0165	0.0262
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0344	0.0588
Echinococcus multilocularis	serine:threonine protein kinase N2	0.002	0.0165	0.0165
Echinococcus granulosus	protein kinase C gamma type	0.002	0.0165	0.0165
Brugia malayi	G protein-coupled receptor	0.0019	0.013	0.0223
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0019	0.013	0.013
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0014	0.0001	0.0001
Echinococcus granulosus	7tm_1 domain containing protein	0.0019	0.013	0.013
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0344	0.0344
Brugia malayi	Ras protein let-60	0.0033	0.0575	0.0983
Brugia malayi	G-protein coupled receptor	0.0019	0.013	0.0223
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0165	0.022
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0575	0.0916
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0594	0.0793
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.013	0.013
Onchocerca volvulus		0.0019	0.013	0.1364
Onchocerca volvulus		0.0019	0.013	0.1364
Echinococcus multilocularis	serotonin receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.013	0.0174
Brugia malayi	cathepsin B-like cysteine proteinase	0.0105	0.2841	0.4856
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Echinococcus granulosus	cathepsin b	0.0105	0.2841	0.2841
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0019	0.013	0.0208
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.013	0.013
Brugia malayi	Hr1 repeat family protein	0.002	0.0165	0.0281
Schistosoma mansoni	memapsin-2 (A01 family)	0.0253	0.748	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0036	0.0662	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	Steroid receptor seven-up type 2	0.0025	0.0344	0.0588
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.002	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	g protein coupled receptor	0.0019	0.013	0.013
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.002	0.0165	0.0262
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0025	0.0344	0.0588
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0344	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0083
Trichomonas vaginalis	dexras1, putative	0.0033	0.0575	0.8962
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0025	0.0344	0.0588
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Brugia malayi	Matrixin family protein	0.002	0.0182	0.0311
Schistosoma mansoni	hypothetical protein	0.0019	0.013	0.0174
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.002	0.0165	0.0165
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0035	0.0636	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.013	0.013
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0344	0.0588
Echinococcus granulosus	ecdysone induced protein 78C	0.0025	0.0344	0.0344
Onchocerca volvulus		0.002	0.0182	0.1906
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0165	0.022
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0025	0.0344	0.046
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0033	0.0575	0.8962
Echinococcus granulosus	sex peptide receptor	0.0019	0.013	0.013
Echinococcus multilocularis	allatostatin A receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0344	0.0588
Loa Loa (eye worm)	matrixin family protein	0.0045	0.0952	0.1517
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0025	0.0344	0.046
Onchocerca volvulus		0.0019	0.013	0.1364
Brugia malayi	nuclear hormone receptor	0.0025	0.0344	0.0588
Echinococcus granulosus	7TM GPCR rhodopsin	0.0019	0.013	0.013
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0165	0.022
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0019	0.013	0.013
Brugia malayi	Matrixin family protein	0.002	0.0182	0.0311
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.013	0.0174
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Schistosoma mansoni	myosin xvIII	0.0019	0.013	0.0174
Onchocerca volvulus		0.0016	0.0052	0.0544
Schistosoma mansoni	opsin-like receptor	0.0019	0.013	0.0174
Echinococcus granulosus	dro:myosuppressin receptor	0.0019	0.013	0.013
Echinococcus granulosus	g protein coupled receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.013	0.013
Entamoeba histolytica	Ras family GTPase	0.0033	0.0575	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0025	0.0344	0.0588
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0019	0.013	0.0223
Schistosoma mansoni	amine GPCR	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.013	0.013
Schistosoma mansoni	histamine h1 receptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0031	0.0527	0.0839
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.013	0.013
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0025	0.0344	0.0588
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0019	0.013	0.013
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.013	0.013
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0036	0.0662	1
Schistosoma mansoni	adenoreceptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0662	0.1054
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0019	0.013	0.0174
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0105	0.2841	0.3798
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.013	0.013
Brugia malayi	Matrixin family protein	0.002	0.0182	0.0311
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.013	0.0208
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0025	0.032	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0036	0.0662	0.0885
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0333	1	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0019	0.0143	0.1553
Brugia malayi	steroid hormone receptor	0.0025	0.0344	0.0588
Schistosoma mansoni	hypothetical protein	0.0029	0.0446	0.0597
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0025	0.0344	0.0548
Onchocerca volvulus		0.0019	0.013	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Schistosoma mansoni	opsin-like receptor	0.0019	0.013	0.0174
Echinococcus multilocularis	Ras protein Rap 1b	0.0016	0.0052	0.0052
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.013	0.013
Echinococcus multilocularis	serine:threonine protein kinase 38	0.002	0.0165	0.0165
Schistosoma mansoni	rap1 and	0.0016	0.0052	0.007
Onchocerca volvulus		0.0019	0.013	0.1364
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0025	0.032	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0019	0.013	0.013
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2841	0.4524
Schistosoma mansoni	neuropeptide receptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	rho GTPase activating protein 190	0.0016	0.0052	0.0052
Brugia malayi	Ras-related protein R-Ras2	0.0033	0.0575	0.0983
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0019	0.013	0.0223
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0073	0.1849	0.1849
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.002	0.0165	0.0165
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0019	0.013	0.0174
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.002	0.0182	0.0243
Onchocerca volvulus		0.0019	0.013	0.1364
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Echinococcus granulosus	fmrfamide receptor	0.0019	0.013	0.013
Echinococcus multilocularis	sex peptide receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0025	0.0344	0.0588
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0344	0.0344
Schistosoma mansoni	amine GPCR	0.0019	0.013	0.0174
Onchocerca volvulus		0.0019	0.013	0.1364
Echinococcus multilocularis	g-protein coupled receptor	0.0019	0.013	0.013
Echinococcus multilocularis	ras gtpase	0.0033	0.0575	0.0575
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0031	0.0527	0.09
Onchocerca volvulus	Bile acid receptor homolog	0.0025	0.0344	0.3611
Echinococcus granulosus	protein kinase c epsilon type	0.0033	0.0594	0.0594
Brugia malayi	Dopamine receptor protein 1	0.0019	0.013	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	matrix metalloproteinase	0.002	0.0182	0.029
Echinococcus granulosus	g-protein coupled receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Schistosoma mansoni	biogenic amine receptor	0.0019	0.013	0.0174
Echinococcus granulosus	neuropeptide receptor A26	0.0019	0.013	0.013
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.013	0.013
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Echinococcus granulosus	serine:threonine protein kinase N2	0.002	0.0165	0.0165
Echinococcus multilocularis	neuropeptide receptor A26	0.0019	0.013	0.013
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0036	0.0662	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Echinococcus multilocularis	orexin receptor type 2	0.0019	0.013	0.013
Onchocerca volvulus	Protein ultraspiracle homolog	0.0025	0.0344	0.3611
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0025	0.0344	0.0548
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.013	0.0174
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.013	0.013
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0019	0.013	0.0174
Entamoeba histolytica	ras-1, putative	0.0033	0.0575	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0035	0.0636	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0165	0.022
Onchocerca volvulus		0.0019	0.013	0.1364
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0025	0.0344	0.0548
Loa Loa (eye worm)	matrixin family protein	0.0049	0.1079	0.1718
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Loa Loa (eye worm)	hypothetical protein	0.002	0.0182	0.029
Echinococcus multilocularis	somatostatin receptor	0.0019	0.013	0.013
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.013	0.013
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0344	0.0344
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0036	0.0662	0.0662
Echinococcus multilocularis	serotonin receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.013	0.013
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.013	0.013
Brugia malayi	Protein kinase domain containing protein	0.002	0.0165	0.0281
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.013	0.013
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Schistosoma mansoni	rap1 and	0.0016	0.0052	0.007
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0215	0.6279	1
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.013	0.013
Brugia malayi	G protein-coupled receptor F59B2.13	0.0019	0.013	0.0223
Trichomonas vaginalis	AGC family protein kinase	0.002	0.0165	0.1925
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0344	0.046
Onchocerca volvulus		0.0019	0.013	0.1364
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0025	0.0344	0.0344
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.013	0.013
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.013	0.0174
Brugia malayi	protein kinase C II.	0.0033	0.0594	0.1015
Echinococcus multilocularis	neuropeptide s receptor	0.0019	0.013	0.013
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0019	0.013	0.013
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0025	0.0344	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0025	0.032	0.0509
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Echinococcus granulosus	g protein coupled receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.002	0.0165	0.0262
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.013	0.013
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0019	0.013	0.013
Echinococcus granulosus	serotonin receptor	0.0019	0.013	0.013
Schistosoma mansoni	hypothetical protein	0.0019	0.013	0.0174
Brugia malayi	Dopamine receptor protein 2	0.0019	0.013	0.0223
Echinococcus granulosus	neuropeptide FF receptor 2	0.0019	0.013	0.013
Echinococcus multilocularis	rho GTPase activating protein 190	0.0016	0.0052	0.0052
Onchocerca volvulus		0.0029	0.0446	0.4683
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.013	0.0208
Echinococcus granulosus	hypothetical protein	0.0019	0.013	0.013
Onchocerca volvulus		0.0019	0.013	0.1364
Onchocerca volvulus		0.0019	0.013	0.1364
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0105	0.2841	1
Brugia malayi	hypothetical protein	0.0019	0.013	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus granulosus	G protein coupled receptor 139	0.0019	0.013	0.013
Brugia malayi	GnHR receptor homolog	0.0019	0.013	0.0223
Schistosoma mansoni	neuropeptide receptor	0.0019	0.013	0.0174
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0019	0.013	0.0223
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0019	0.013	0.0174
Echinococcus multilocularis	ecdysone induced protein 78C	0.0025	0.0344	0.0344
Brugia malayi	larval opioid receptor	0.0019	0.013	0.0223
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0031	0.0527	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	cathepsin b	0.0105	0.2841	0.2841
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0019	0.013	0.0223
Loa Loa (eye worm)	AGC/PKN protein kinase	0.002	0.0165	0.0262
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0019	0.013	0.013
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0033	0.0575	0.8962
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0344	0.0344
Schistosoma mansoni	biogenic amine receptor	0.0019	0.013	0.0174
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0025	0.0344	0.0344
Schistosoma mansoni	RAR-like nuclear receptor	0.0025	0.0344	0.046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0025	0.0344	0.0548
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Echinococcus granulosus	neuropeptide s receptor	0.0019	0.013	0.013
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0019	0.013	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0025	0.0344	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Entamoeba histolytica	protein kinase, putative	0.002	0.0165	0.2148
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0025	0.0344	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Echinococcus granulosus	Protein kinase C brain isozyme	0.0033	0.0594	0.0594
Echinococcus multilocularis	cathepsin b	0.0105	0.2841	0.2841
Onchocerca volvulus		0.0019	0.013	0.1364
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0019	0.013	0.013
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.013	0.013
Mycobacterium ulcerans	hydrolase	0.0025	0.032	0.5
Echinococcus granulosus	neuropeptide receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.002	0.0182	0.029
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Trichomonas vaginalis	rheb, putative	0.0033	0.0575	0.8962
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.013	0.0174
Brugia malayi	Serotonin receptor	0.0019	0.013	0.0223
Brugia malayi	protein kinase C3,putative	0.0201	0.585	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0344	0.0588
Schistosoma mansoni	growth hormone secretagogue receptor	0.0019	0.013	0.0174
Brugia malayi	ecdysteroid receptor	0.0025	0.0344	0.0588
Entamoeba histolytica	protein kinase, putative	0.002	0.0165	0.2148
Echinococcus multilocularis	G protein coupled receptor 139	0.0019	0.013	0.013
Loa Loa (eye worm)	melatonin receptor type 1A	0.0019	0.013	0.0208
Echinococcus multilocularis	FTZ F1 alpha	0.0025	0.0344	0.0344
Echinococcus granulosus	neuropeptide receptor	0.0019	0.013	0.013
Trichomonas vaginalis	rap1 and, putative	0.0033	0.0575	0.8962
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0019	0.013	0.0208
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.013	0.0174
Echinococcus multilocularis	dro:myosuppressin receptor	0.0019	0.013	0.013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0344	0.0548
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0019	0.013	0.013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.013	0.013
Brugia malayi	Matrixin family protein	0.0049	0.1079	0.1844
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.013	0.0174
Echinococcus granulosus	protein kinase c iota type	0.022	0.6444	0.6444

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.06 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 0.06 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 2.19 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 2.19 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 4.68 uM	Cytotoxicity against human HA22T cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 4.73 uM	Cytotoxicity against SKBR3 cells after 72 hrs by MTT assay	ChEMBL.	17107806
SC50 (binding)	0	Binding affinity to Escherichia coli JM83 pUC19 DNA assessed as DNA intercalation assay	ChEMBL.	17107806

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17107806

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 420398