TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.554 | Formula: C25H26FN3O5S
H donors: 2 H acceptors: 2 LogP: 3.85 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc(c1OC)OC)C(=O)c1c(N)sc2c1CCN(C2)C(=O)NCc1ccc(cc1)F
InChi: 1S/C25H26FN3O5S/c1-32-18-10-15(11-19(33-2)23(18)34-3)22(30)21-17-8-9-29(13-20(17)35-24(21)27)25(31)28-12-14-4-6-16(26)7-5-14/h4-7,10-11H,8-9,12-13,27H2,1-3H3,(H,28,31)
InChiKey: NIPJLPJIQRLJRA-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
Schistosoma mansoni	rotamase	0.0036	0.0358	0.0358
Trichomonas vaginalis	dullard protein, putative	0.0027	0.0236	0.0894
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0036	0.0346	0.3336
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0533	0.0533
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0204	0.2541	1
Schistosoma mansoni	cpg binding protein	0.0066	0.0746	0.0746
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0354
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0533	0.0524
Schistosoma mansoni	microtubule-associated protein tau	0.0777	1	1
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0027	0.0236	0.0894
Schistosoma mansoni	hypothetical protein	0.0191	0.2367	0.2367
Trypanosoma brucei	unspecified product	0.0025	0.0212	0.2005
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0063	0.0702	0.2738
Echinococcus granulosus	expressed protein	0.0036	0.0358	0.0349
Trichomonas vaginalis	rotamase, putative	0.0036	0.0346	0.1332
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0027	0.0236	0.0236
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0027	0.026
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.022	0.0832
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.3039
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0027	0.0236	0.0236
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0204	0.2541	1
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0027	0.0236	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0063	0.0699	0.2725
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0027	0.0236	0.0894
Schistosoma mansoni	hypothetical protein	0.0017	0.0107	0.0107
Treponema pallidum	ribonuclease H (rnhA)	0.0023	0.0186	0.5
Giardia lamblia	Nuclear LIM interactor-interacting factor 1	0.0027	0.0236	0.0894
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.001	0.0009	0.0009
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0016	0.0086	0.0077
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0107	0.0387
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2541	1
Onchocerca volvulus		0.0026	0.022	0.0832
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0533	0.0524
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0533	0.0533
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0533	0.0524
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.0832
Brugia malayi	F/Y-rich N-terminus family protein	0.0019	0.0132	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0832
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0204	0.2541	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.022	0.0832
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0591	0.2299
Onchocerca volvulus		0.0204	0.2541	1
Brugia malayi	RNase H family protein	0.0023	0.0186	0.0699
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.0832
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0212	0.2005
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0354
Toxoplasma gondii	ribonuclease HI protein	0.0023	0.0186	0.1133
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.3039
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.022	0.0354
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0107	0.0387
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0027	0.026
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0107	0.0098
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0107	0.0098
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0027	0.0236	0.0894
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0367	0.1414
Trypanosoma brucei	RNA helicase, putative	0.0087	0.102	1
Schistosoma mansoni	hypothetical protein	0.0027	0.0231	0.0231
Schistosoma mansoni	hypothetical protein	0.0017	0.0107	0.0107
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0107	0.0098
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Echinococcus granulosus	Carboxy terminal domain RNA polymerase II	0.0027	0.0236	0.0227
Echinococcus multilocularis		0.0027	0.0236	0.0227
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.001	0.0009	0.0009
Echinococcus granulosus	dnaJ subfamily B	0.0446	0.5696	0.5692
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.022	0.0618
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.001	0.0009	0.0009
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0016	0.0086	0.0077
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.001	0.0009	0.0009
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0591	0.2299
Schistosoma mansoni	cpg binding protein	0.0063	0.0699	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0367	0.1414
Trypanosoma cruzi	ribonuclease H1, putative	0.0023	0.0186	0.2552
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2541	1
Echinococcus granulosus	cpg binding protein	0.0066	0.0746	0.0737
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.001	0.0009	0.0009
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0639	0.8208	0.8206
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0107	0.0387
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.022	0.0618
Brugia malayi	RNase H family protein	0.0023	0.0186	0.0699
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0027	0.0236	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0832
Echinococcus multilocularis	Carboxy terminal domain RNA polymerase II	0.0027	0.0236	0.0227
Schistosoma mansoni	cpg binding protein	0.0066	0.0746	0.0746
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2541	1
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0186	0.0186
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0533	0.2068
Leishmania major	hypothetical protein, conserved	0.0063	0.0702	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.001	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0358	0.1376
Echinococcus multilocularis	expressed protein	0.0036	0.0358	0.0349
Toxoplasma gondii	Dullard family phosphatase domain-containing protein	0.0027	0.0236	0.1486
Schistosoma mansoni	protein tyrosine phosphatase	0.001	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Trypanosoma brucei	Mitochondrial import inner membrane translocase subunit TIM50	0.0027	0.0236	0.224
Brugia malayi	Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1	0.0027	0.0236	0.0894
Mycobacterium ulcerans	hypothetical protein	0.0026	0.022	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0135	0.0496
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0036	0.0346	0.4865
Loa Loa (eye worm)	histone methyltransferase	0.0019	0.0135	0.0499
Schistosoma mansoni	hypothetical protein	0.0017	0.0107	0.0107
Schistosoma mansoni	hypothetical protein	0.0017	0.0107	0.0107
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0119	0.1429	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0591	0.2299
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.001	0.0009	0.0009
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.0135	0.0126
Echinococcus multilocularis	microtubule associated protein 2	0.0777	1	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0025	0.0212	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0231	0.0877
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2541	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.022	0.0354
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Brugia malayi	RNase H family protein	0.0023	0.0186	0.0699
Trypanosoma brucei	ingi protein (ORF1)	0.0025	0.0212	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0591	0.2299
Echinococcus multilocularis	dnaJ subfamily B	0.0446	0.5696	0.5692
Schistosoma mansoni	hypothetical protein	0.0446	0.5696	0.5696
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.001	0.0009	0.0009
Echinococcus multilocularis	cpg binding protein	0.0066	0.0746	0.0737
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.022	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.022	0.0832
Brugia malayi	hypothetical protein	0.0165	0.203	0.7982
Onchocerca volvulus	Ribonuclease H1 homolog	0.0023	0.0186	0.0699
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0533	0.2068
Trypanosoma cruzi	ribonuclease H1, putative	0.0023	0.0186	0.2552
Trichomonas vaginalis	ribonuclease H1, putative	0.0023	0.0186	0.0699
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0135	0.0496
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0011	0.0027	0.0179
Schistosoma mansoni	hypothetical protein	0.0037	0.0367	0.0367
Trypanosoma brucei	ingi protein (ORF1)	0.0025	0.0212	0.2005
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0204	0.2541	1
Plasmodium falciparum	NLI interacting factor-like phosphatase, putative	0.0027	0.0236	1
Schistosoma mansoni	protein tyrosine phosphatase	0.001	0.0009	0.0009
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0036	0.0346	0.1332
Echinococcus multilocularis	geminin	0.0191	0.2367	0.236
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0832
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0068	0.0232
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.001	0.0009	0.0009
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.001	0.0009	0.0009
Trichomonas vaginalis	helicase, putative	0.0014	0.0068	0.0232
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0186	0.0186
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0107	0.0387
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.022	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0165	0.203	0.7982
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0702	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0135	0.0086
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0204	0.2541	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.001	0.0009	0.0009
Trichomonas vaginalis	dullard protein, putative	0.0027	0.0236	0.0894
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0133	0.1614	0.1614
Brugia malayi	CXXC zinc finger family protein	0.0063	0.0699	0.2725
Trypanosoma brucei	ribonuclease H1	0.0023	0.0186	0.1751
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0107	0.0098
Echinococcus granulosus	CTD small phosphatase protein like	0.0027	0.0236	0.0227
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0016	0.0086	0.0086
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.022	0.5
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.001	0.0009	0.0009
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0016	0.0086	0.0077
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2541	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0135	0.0496
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.0346	0.4865
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0702	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0141	0.1722	1
Echinococcus granulosus	ribonuclease H1	0.0023	0.0186	0.0177
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.0346	0.4865
Onchocerca volvulus		0.0165	0.203	0.7982
Trichomonas vaginalis	rotamase, putative	0.0036	0.0358	0.1376
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.001	0.0009	0.0009
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.0358	0.1376
Leishmania major	hypothetical protein, conserved	0.0027	0.0236	0.3266
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0135	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0135	0.0496
Toxoplasma gondii	peptidylprolyl isomerase	0.0036	0.0346	0.2276
Schistosoma mansoni	hypothetical protein	0.0191	0.2367	0.2367
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0107	0.0098
Leishmania major	ribonuclease H1, putative	0.0023	0.0186	0.2552
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0068	0.0232
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.001	0.0009	0.0009
Onchocerca volvulus		0.0063	0.0699	0.2725
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0011	0.0027	0.026
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0027	0.0236	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0016	0.0086	0.0077
Schistosoma mansoni	hypothetical protein	0.0087	0.102	0.102
Schistosoma mansoni	phosphoglucomutase	0.0023	0.0186	0.0186
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0236	0.3266
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0135	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0533	0.0524
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0204	0.2541	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2541	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0236	0.0894
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0533	0.0533
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0027	0.0236	0.0894
Echinococcus granulosus	GPCR family 2	0.0017	0.0107	0.0098
Schistosoma mansoni	pcd6 interacting protein-related	0.001	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0068	0.0232
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.3039
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0036	0.0358	0.1376
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Giardia lamblia	Ribonuclease H	0.0023	0.0186	0.0699
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0063	0.0702	0.6858
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.001	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0068	0.0232
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0023	0.0186	1
Echinococcus granulosus	geminin	0.0191	0.2367	0.236
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.022	0.0354
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0063	0.0702	0.2738
Echinococcus multilocularis	ribonuclease H1	0.0023	0.0186	0.0177
Trichomonas vaginalis	dullard protein, putative	0.0027	0.0236	0.0894
Schistosoma mansoni	protein tyrosine phosphatase	0.001	0.0009	0.0009
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.0135	0.0126

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	> 10000 nM	Antiproliferative activity against human CEM cells	ChEMBL.	18725179
IC50 (functional)	> 10000 nM	Antiproliferative activity against mouse FM3A cells	ChEMBL.	18725179
IC50 (functional)	> 10000 nM	Antiproliferative activity against mouse L1210 cells	ChEMBL.	18725179

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18725179
Mus musculus	ChEMBL23	18725179

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: CHEMBL496958

Bibliographic References

No literature references available for this target.

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Detailed information for compound 994470