TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 688.643 | Formula: C37H39Cl2N5O4
H donors: 4 H acceptors: 4 LogP: 7.45 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: OCC(CN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)O
InChi: 1S/C37H39Cl2N5O4/c1-47-26-7-11-32-30(19-26)36(28-9-5-23(38)17-34(28)42-32)40-13-3-15-44(21-25(46)22-45)16-4-14-41-37-29-10-6-24(39)18-35(29)43-33-12-8-27(48-2)20-31(33)37/h5-12,17-20,25,45-46H,3-4,13-16,21-22H2,1-2H3,(H,40,42)(H,41,43)
InChiKey: KWSVRSPRLDAQNC-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
Echinococcus granulosus	cathepsin b	0.0097	0.2829	0.2829
Brugia malayi	protein kinase C3,putative	0.0186	0.586	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0328	0.0328
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0033	0.0647	0.0865
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0328	0.0328
Echinococcus granulosus	Ras protein Rap 1b	0.0015	0.0036	0.0036
Mycobacterium ulcerans	hydrolase	0.0023	0.0304	0.5
Schistosoma mansoni	serine/threonine kinase	0.0019	0.0165	0.0221
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0019	0.0165	0.0262
Echinococcus multilocularis	cathepsin b	0.0097	0.2829	0.2829
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0055	0.1387	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0041	0.0937	1
Brugia malayi	Matrixin family protein	0.0019	0.0166	0.0283
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0055	0.1387	1
Echinococcus granulosus	protein kinase c iota type	0.0204	0.6454	0.6454
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0328	0.0439
Echinococcus granulosus	Protein kinase C brain isozyme	0.0031	0.0595	0.0595
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0328	0.056
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0166	0.0263
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0328	0.0328
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0328	0.0439
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0328	0.0328
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0019	0.0165	0.0262
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0165	0.0221
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0032	0.062	0.4324
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0328	0.056
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0328	0.0439
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0328	0.0439
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0019	0.0165	0.0165
Schistosoma mansoni	memapsin-2 (A01 family)	0.0234	0.7476	1
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0328	0.056
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0328	0.056
Echinococcus multilocularis	mitogen activated protein kinase	0.0055	0.1387	0.1387
Brugia malayi	Hr1 repeat family protein	0.0019	0.0165	0.0281
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0001	0.0001
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0165	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0097	0.2829	0.3784
Trichomonas vaginalis	GTP-binding protein rit, putative	0.003	0.0559	0.3875
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0328	0.0522
Brugia malayi	Matrixin family protein	0.0045	0.1064	0.1816
Loa Loa (eye worm)	matrixin family protein	0.0045	0.1064	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0014	0.0001	0.0001
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0097	0.2829	0.3784
Brugia malayi	cathepsin B-like cysteine proteinase	0.0097	0.2829	0.4828
Brugia malayi	Ras protein let-60	0.003	0.0559	0.0955
Echinococcus granulosus	cathepsin b	0.0097	0.2829	0.2829
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0328	0.056
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus granulosus	ras gtpase	0.003	0.0559	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0036	0.0057
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0023	0.0328	0.3497
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0033	0.0647	0.0344
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0165	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0304	0.0483
Echinococcus granulosus	protein kinase C gamma type	0.0019	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0647	0.1028
Loa Loa (eye worm)	cathepsin B	0.0032	0.062	0.0986
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0328	0.0522
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0328	0.0328
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0023	0.0304	0.5
Loa Loa (eye worm)	Ras protein let-60	0.003	0.0559	0.0889
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0029	0.0511	0.0511
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0328	0.056
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2829	0.4498
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0595	0.0795
Brugia malayi	steroid hormone receptor	0.0023	0.0328	0.056
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Brugia malayi	Protein kinase domain containing protein	0.0019	0.0165	0.0281
Echinococcus granulosus	Ras protein Rap 1b	0.0015	0.0036	0.0036
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0328	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Brugia malayi	Hemopexin family protein	0.0026	0.0431	0.0735
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0165	0.0221
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0032	0.062	0.3724
Brugia malayi	Ras-related protein R-Ras2	0.003	0.0559	0.0955
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0328	0.0439
Toxoplasma gondii	cathepsin B	0.0032	0.062	0.3724
Brugia malayi	Matrixin family protein	0.0019	0.0166	0.0283
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0019	0.0165	0.0165
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0328	0.056
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0199	0.629	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0055	0.1387	0.3472
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0019	0.0165	0.0165
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0328	0.0328
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0019	0.0165	0.0165
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus multilocularis	serine threonine protein kinase	0.0019	0.0165	0.0165
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0328	0.0522
Onchocerca volvulus		0.0023	0.0328	0.3497
Schistosoma mansoni	rap1 and	0.0015	0.0036	0.0048
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0044	0.1037	0.1387
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0328	0.056
Entamoeba histolytica	protein kinase, putative	0.0019	0.0165	0.2465
Onchocerca volvulus	Matrilysin homolog	0.0019	0.0166	0.1762
Entamoeba histolytica	protein kinase, putative	0.0019	0.0165	0.2465
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0019	0.0165	0.0262
Echinococcus granulosus	mitogen activated protein kinase	0.0055	0.1387	0.1387
Brugia malayi	protein kinase C II.	0.0031	0.0595	0.1015
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0019	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0165	0.0262
Entamoeba histolytica	ras-1, putative	0.003	0.0559	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0328	0.056
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1387	1
Echinococcus multilocularis	rho GTPase activating protein 190	0.0015	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Brugia malayi	RAP1B, member of RAS oncogene family	0.0015	0.0036	0.0061
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0328	0.0439
Onchocerca volvulus		0.0026	0.0431	0.4589
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1387	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0328	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Echinococcus granulosus	mitogen activated protein kinase 3	0.0055	0.1387	0.1387
Echinococcus multilocularis	Ras protein Rap 1b	0.0015	0.0036	0.0036
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0019	0.0165	0.0165
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0029	0.0511	0.0511
Brugia malayi	ecdysteroid receptor	0.0023	0.0328	0.056
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0328	0.0328
Schistosoma mansoni	rap1 and	0.0015	0.0036	0.0048
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0328	0.056
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0033	0.0647	0.0647
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0328	0.0522
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0019	0.0165	0.0262
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0033	0.0647	0.0647
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0595	0.0795
Loa Loa (eye worm)	matrixin family protein	0.0041	0.0937	0.149
Giardia lamblia	Kinase, CMGC MAPK	0.0055	0.1387	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0328	0.0522
Brugia malayi	p70 ribosomal S6 kinase beta	0.0019	0.0165	0.0281
Trichomonas vaginalis	ral, putative	0.003	0.0559	0.3875
Trichomonas vaginalis	rheb, putative	0.003	0.0559	0.3875
Schistosoma mansoni	hypothetical protein	0.0026	0.0431	0.0576
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0328	0.056
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0328	0.0522
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0328	0.0522
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0068	0.1836	0.1836
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1387	0.3472
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0328	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0328	0.056
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0019	0.0165	0.0262
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0165	0.0221
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0055	0.1387	0.1387
Trichomonas vaginalis	dexras1, putative	0.003	0.0559	0.3875
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0031	0.0595	0.0595
Loa Loa (eye worm)	matrix metalloproteinase	0.0019	0.0166	0.0263
Echinococcus granulosus	rho GTPase activating protein 190	0.0015	0.0036	0.0036
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0055	0.1387	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0328	0.0328
Entamoeba histolytica	Ras family GTPase	0.003	0.0559	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0097	0.2829	0.3784
Echinococcus multilocularis	ras gtpase	0.003	0.0559	0.0559
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1387	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0328	0.056
Brugia malayi	Matrixin family protein	0.0019	0.0166	0.0283
Brugia malayi	nuclear hormone receptor	0.0023	0.0328	0.056
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0308	1	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0055	0.1387	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0018	0.0127	0.0671
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1387	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0166	0.0263
Echinococcus multilocularis	cathepsin b	0.0097	0.2829	0.2829
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0068	0.1836	0.1836
Entamoeba histolytica	protein kinase, putative	0.0019	0.0165	0.2465
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0019	0.0165	0.0165
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0328	0.0328
Onchocerca volvulus	Matrilysin homolog	0.0041	0.0937	1
Entamoeba histolytica	Ras family GTPase	0.003	0.0559	1
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0165	0.0221
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0032	0.062	0.0829
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0328	0.0439
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0097	0.2829	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0166	0.0263
Schistosoma mansoni	coup transcription factor	0.0023	0.0328	0.0439
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus multilocularis	Ras protein Rap 1b	0.0015	0.0036	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0328	0.056
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522
Echinococcus granulosus	protein kinase c epsilon type	0.0031	0.0595	0.0595
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0023	0.0304	0.0518
Onchocerca volvulus	Protein ultraspiracle homolog	0.0023	0.0328	0.3497
Onchocerca volvulus	Bile acid receptor homolog	0.0023	0.0328	0.3497
Echinococcus multilocularis	protein kinase c iota type	0.0204	0.6454	0.6454
Trichomonas vaginalis	ras-dva small GTPase, putative	0.003	0.0559	0.3875
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0328	0.0328
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0595	0.0795
Brugia malayi	Matrixin family protein	0.0019	0.0166	0.0283
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0328	0.056
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0328	0.0522
Schistosoma mansoni	atypical protein kinase C	0.0217	0.6884	0.9209
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0055	0.1387	0.2205
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0097	0.2829	0.3784
Trypanosoma brucei	protein kinase, putative	0.0055	0.1387	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0019	0.0165	0.0165
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0055	0.1387	0.3472
Onchocerca volvulus		0.0019	0.0166	0.1762
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0019	0.0165	0.0262
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0328	0.0439
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0019	0.0166	0.0222
Mycobacterium leprae	PROBABLE HYDROLASE	0.0023	0.0304	0.5
Echinococcus multilocularis	protein kinase c epsilon type	0.0031	0.0595	0.0595
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0029	0.0511	0.0812
Trichomonas vaginalis	rap1 and, putative	0.003	0.0559	0.3875
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0019	0.0165	0.0262
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0033	0.0647	0.394
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0029	0.0511	0.0872
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0019	0.0165	0.0165
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0033	0.0647	0.0647
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0328	0.0439
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0019	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0036	0.0057
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.0328	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0328	0.056
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0328	0.0328
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0328	0.0439
Brugia malayi	MAP kinase sur-1	0.0055	0.1387	0.2367
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0328	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0328	0.056
Trichomonas vaginalis	AGC family protein kinase	0.0019	0.0165	0.0955
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0328	0.0328
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0031	0.0595	0.0945
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1387	0.3472
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0328	0.0328
Echinococcus granulosus	NDR protein kinase	0.0019	0.0165	0.0165
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0328	0.0439
Entamoeba histolytica	protein kinase, putative	0.0019	0.0165	0.2465
Onchocerca volvulus		0.0015	0.0036	0.0376
Loa Loa (eye worm)	hypothetical protein	0.003	0.0559	0.0889
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0033	0.0647	0.0647
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.1387	0.1856
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0328	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0522

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	< 0.01 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	< 0.01 uM	Cytotoxicity against MOLT4 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 0.13 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 0.13 uM	Cytotoxicity against human COLO205 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 1.29 uM	Cytotoxicity against SKBR3 cells after 72 hrs by MTT assay	ChEMBL.	17107806
IC50 (ADMET)	= 1.72 uM	Cytotoxicity against human HA22T 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 420394