TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.662 | Formula: C22H35N3O2S2
H donors: 1 H acceptors: 4 LogP: 8.52 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1scnn1
InChi: 1S/C22H35N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)29(26,27)25-22-24-23-19-28-22/h15-19H,2-14H2,1H3,(H,24,25)
InChiKey: YBCPOZWSAZPCTA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	v-akt murine thymoma viral oncogene homolog 1		No references
Mus musculus	thymoma viral proto-oncogene 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium knowlesi	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium yoelii	kinase Akt/PKB-related	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	serine/threonine-protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	rac serine:threonine kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei gambiense	rac serine-threonine kinase, putative,protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Toxoplasma gondii	AGC kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	Protein kinase B	Get druggable targets OG5_126635	All targets in OG5_126635
Giardia lamblia	Kinase, AGC PKA	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	serine threonine protein kinase nrc	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium berghei	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma congolense	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase 2, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K07390 monothiol glutaredoxin, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	AGC/AKT protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Brugia malayi	p70 ribosomal S6 kinase beta	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	serine/threonine-protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635

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
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Echinococcus multilocularis	Glutaredoxin protein 5	0.005	0.0417	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0038	0.027	0.0846
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.066	0.2107
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0666	0.0657
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Brugia malayi	hypothetical protein	0.0077	0.0779	0.2491
Giardia lamblia	PHD finger protein 15	0.0058	0.0532	0.0704
Brugia malayi	p70 ribosomal S6 kinase beta	0.0075	0.0756	0.2418
Entamoeba histolytica	protein kinase, putative	0.0075	0.0756	0.1005
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0035	0.0223	0.2866
Entamoeba histolytica	protein kinase, putative	0.008	0.0821	0.1092
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0025	0.0098	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.027	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0221
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0078	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0539	0.709
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0027	0.0126	0.0118
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0093	0.0241
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0371	0.4651	1
Schistosoma mansoni	jumonji domain containing protein	0.0035	0.0223	0.0214
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0024	0.0078	0.0934
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.018	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0532	0.1693
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus granulosus	zinc finger protein	0.0021	0.004	0.0032
Echinococcus granulosus	JmjC domain containing protein 4	0.0035	0.0223	0.0214
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Schistosoma mansoni	hypothetical protein	0.0416	0.5236	0.5232
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0035	0.0223	0.2866
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0075	0.0756	0.2418
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0134	0.1527	0.1519
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0371	0.4651	0.4646
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0026	0.0105	0.0097
Echinococcus granulosus	NDR protein kinase	0.0026	0.0105	0.0097
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0371	0.4651	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0024	0.0078	0.0199
Echinococcus multilocularis	nervana 2	0.005	0.0417	0.0409
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0394	0.0385
Schistosoma mansoni	cpg binding protein	0.0033	0.0196	0.0188
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0093	0.0241
Brugia malayi	jmjC domain containing protein	0.0134	0.1527	0.4909
Echinococcus granulosus	cpg binding protein	0.0033	0.0196	0.0188
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0078	0.0094
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0321	0.0312
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0038	0.0269	0.0261
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus granulosus	Glutaredoxin protein 5	0.005	0.0417	0.0409
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0024	0.0078	0.0199
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0009	0.0012
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0026	0.0105	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0878	0.281
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0371	0.4651	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0693
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0254	0.3101	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Giardia lamblia	Rrm3p helicase	0.0371	0.4651	0.6239
Brugia malayi	PHD-finger family protein	0.0026	0.0109	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0338	0.1066
Schistosoma mansoni	chromobox protein	0.0068	0.0666	0.0657
Echinococcus multilocularis	zinc finger protein	0.0021	0.004	0.0032
Brugia malayi	Heterochromatin protein 1	0.0068	0.0666	0.2124
Schistosoma mansoni	chromobox protein	0.0068	0.0666	0.0657
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2558	0.8243
Echinococcus granulosus	dnaJ subfamily B	0.0416	0.5236	0.5232
Brugia malayi	Hr1 repeat family protein	0.0026	0.0105	0.0312
Echinococcus granulosus	phd:f box containing protein	0.0035	0.0223	0.0214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.0173	0.0533
Brugia malayi	PHD-finger family protein	0.0058	0.0532	0.1693
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Loa Loa (eye worm)	AGC/AKT protein kinase	0.008	0.0821	0.2628
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1289	0.4142
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	AF-10 protein	0.0019	0.0016	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.2611	0.5606
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Brugia malayi	PHD-finger family protein	0.0023	0.0063	0.0175
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0026	0.0105	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0371	0.4651	0.6243
Trypanosoma brucei	rac serine-threonine kinase, putative	0.008	0.0821	0.1751
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Schistosoma mansoni	cpg binding protein	0.0033	0.0196	0.0188
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0308	0.0414
Onchocerca volvulus		0.0085	0.0878	0.2607
Echinococcus granulosus	nervana 2	0.005	0.0417	0.0409
Schistosoma mansoni	hypothetical protein	0.0371	0.4651	0.4646
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.018	0.0553
Echinococcus granulosus	citrate lyase subunit beta protein	0.0025	0.0093	0.0085
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.005	0.0417	0.0409
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Plasmodium vivax	JmjC domain containing protein	0.0035	0.0223	0.4092
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0371	0.4651	1
Echinococcus granulosus	jumonji domain containing 1A	0.0035	0.0223	0.0214
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0251	0.3063	0.3057
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.005	0.0417	0.0409
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0079	0.007
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus multilocularis	lysine specific demethylase 5A	0.013	0.148	0.1473
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0221
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.2611	0.5606
Echinococcus granulosus	chromobox protein 1	0.0068	0.0666	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0693
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0058	0.0532	0.0524
Echinococcus multilocularis	jumonji domain containing 1A	0.0035	0.0223	0.0214
Plasmodium vivax	SET domain protein, putative	0.0031	0.0173	0.3147
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0105	0.0097
Treponema pallidum	fructose-bisphosphate aldolase	0.0584	0.7449	1
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.017	0.0229
Echinococcus granulosus	jumonji domain containing protein	0.0081	0.0832	0.0824
Echinococcus granulosus	Protein kinase C brain isozyme	0.0026	0.0105	0.0097
Echinococcus multilocularis	phd:f box containing protein	0.0035	0.0223	0.0214
Entamoeba histolytica	hypothetical protein, conserved	0.0371	0.4651	0.6239
Brugia malayi	jmjC domain containing protein	0.0251	0.3063	0.9875
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0666	0.0893
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.004	0.0593
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0371	0.4651	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.015	0.0457
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0105	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0063	0.0175
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1074	0.3446
Loa Loa (eye worm)	jmjC domain-containing protein	0.012	0.1348	0.4332
Schistosoma mansoni	hypothetical protein	0.002	0.0032	0.0024
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0009	0.0012
Schistosoma mansoni	microtubule-associated protein tau	0.0778	1	1
Echinococcus granulosus	serine/threonine protein kinase	0.0055	0.0489	0.0481
Echinococcus granulosus	serine threonine protein kinase nrc	0.005	0.0424	0.0416
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Brugia malayi	Bromodomain containing protein	0.0075	0.0756	0.2418
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0105	0.0312
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.015	0.0457
Echinococcus granulosus	nervana 2	0.005	0.0417	0.0409
Schistosoma mansoni	hypothetical protein	0.0077	0.0779	0.0771
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0595	0.0587
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0024	0.0078	0.0934
Giardia lamblia	Fructose-bisphosphate aldolase	0.0584	0.7449	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0038	0.0269	0.0261
Toxoplasma gondii	AGC kinase	0.0075	0.0756	1
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0093	0.0241
Schistosoma mansoni	hypothetical protein	0.0058	0.0532	0.0524
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.015	0.0142
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.018	0.0553
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0079	0.007
Toxoplasma gondii	PHD-finger domain-containing protein	0.0019	0.0016	0.0102
Schistosoma mansoni	hypothetical protein	0.0019	0.0016	0.0008
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
Echinococcus granulosus	serine:threonine protein kinase N2	0.0026	0.0105	0.0097
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0078	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0079	0.007
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0055	0.0489	0.1035
Schistosoma mansoni	phosphatidylserine receptor	0.0035	0.0223	0.0214
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0285	0.3519	1
Schistosoma mansoni	zinc finger protein	0.0021	0.004	0.0032
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0035	0.0223	0.0462
Onchocerca volvulus		0.003	0.0161	0.0041
Echinococcus granulosus	protein kinase C gamma type	0.0026	0.0105	0.0097
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0371	0.4651	0.4646
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.018	0.0171
Schistosoma mansoni	jumonji domain containing protein	0.0211	0.2547	0.254
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1074	0.3446
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0371	0.4651	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0093	0.0241
Echinococcus multilocularis	jumonji domain containing protein	0.0081	0.0832	0.0824
Echinococcus multilocularis	nervana 2	0.005	0.0417	0.0409
Loa Loa (eye worm)	PHD-finger family protein	0.0058	0.0532	0.1693
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0532	0.7003
Entamoeba histolytica	protein kinase, putative	0.008	0.0821	0.1092
Brugia malayi	F/Y-rich N-terminus family protein	0.0031	0.0173	0.0531
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0173	0.0165
Schistosoma mansoni	serine/threonine kinase	0.0026	0.0105	0.0097
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0026	0.0105	0.0312
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0105	0.0312
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.018	0.0553
Schistosoma mansoni	hypothetical protein	0.0068	0.066	0.0652
Trypanosoma brucei	hypothetical protein, conserved	0.0216	0.2611	0.5606
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0779	0.0771
Echinococcus granulosus	PHD finger protein rhinoceros	0.0058	0.0532	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0817
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2072	0.2781
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0173	0.2204
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0489	0.0646
Echinococcus granulosus	L aminoadipate semialdehyde	0.0085	0.0878	0.087
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0078	0.1334
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0285	0.3519	1
Onchocerca volvulus		0.0242	0.2942	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0026	0.0105	0.0097
Brugia malayi	Pre-SET motif family protein	0.0212	0.2558	0.8243
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0024	0.0078	0.0199
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0019	0.0016	0.0102
Echinococcus multilocularis	protein kinase c epsilon type	0.0026	0.0105	0.0097
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0026	0.0105	0.0097
Brugia malayi	Bromodomain containing protein	0.0061	0.0563	0.1792
Entamoeba histolytica	hypothetical protein	0.0024	0.0078	0.0094
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0285	0.3519	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0105	0.0312
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.018	0.0171
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0025	0.0093	0.0241
Echinococcus multilocularis	dnaJ subfamily B	0.0416	0.5236	0.5232
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1074	0.3446
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0035	0.0223	0.0214
Echinococcus multilocularis	JmjC domain containing protein 4	0.0035	0.0223	0.0214
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0394	0.0385
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0085	0.0878	0.281
Entamoeba histolytica	protein kinase, putative	0.0026	0.0105	0.013
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0078	0.015
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0666	0.2124
Brugia malayi	Protein kinase domain containing protein	0.008	0.0821	0.2628
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Plasmodium falciparum	phd finger protein, putative	0.0058	0.0532	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0223	0.0462
Onchocerca volvulus	Glucosylceramidase homolog	0.0166	0.1954	0.6462
Echinococcus multilocularis	rac serine:threonine kinase	0.0055	0.0489	0.0481
Echinococcus granulosus	GPCR family 2	0.0031	0.018	0.0171
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2072	0.2781
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0666	0.0893
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0371	0.4651	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus granulosus	chromobox protein 1	0.0068	0.0666	0.0657
Echinococcus multilocularis	peregrin	0.0061	0.0563	0.0555
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0371	0.4651	0.6239
Schistosoma mansoni	atypical protein kinase C	0.0026	0.0105	0.0097
Echinococcus granulosus	peregrin	0.0061	0.0563	0.0555
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0032	0.0076
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0394	0.0385
Entamoeba histolytica	protein kinase 2, putative	0.005	0.0424	0.0558
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0251	0.3063	0.3057
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0025	0.0093	0.0125
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0605	0.0597
Echinococcus granulosus	lysine specific demethylase 6a	0.0035	0.0223	0.0214
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1074	0.3446
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.027	0.0363
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0173	0.0165
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0026	0.0105	0.0097
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0026	0.0105	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0394	0.1245
Schistosoma mansoni	serine/threonine-protein kinase	0.0055	0.0489	0.0481
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0058	0.0532	0.0524
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0559	0.0551
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0078	0.1334
Schistosoma mansoni	cpg binding protein	0.0029	0.015	0.0141
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0026	0.0105	0.0097
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.027	0.0431
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0035	0.0223	0.0462
Loa Loa (eye worm)	hypothetical protein	0.004	0.0292	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0679	0.2168
Brugia malayi	protein kinase C II.	0.0026	0.0105	0.0312
Echinococcus multilocularis	protein kinase c iota type	0.0026	0.0105	0.0097
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Brugia malayi	Bromodomain containing protein	0.0038	0.026	0.0814
Schistosoma mansoni	serine/threonine-protein kinase	0.0055	0.0489	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0068	0.066	0.2107
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0559	0.0551
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0666	0.0657
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0019	0.0016	0.0016
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.005	0.0424	0.0416
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
Echinococcus multilocularis	GPCR, family 2	0.0031	0.018	0.0171
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0026	0.0105	0.0097
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0035	0.0223	0.0462
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.005	0.0424	0.0895
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.018	0.0553
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0025	0.0093	0.0085
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0308	0.0568
Mycobacterium ulcerans	short chain dehydrogenase	0.0274	0.3367	0.9566
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0493
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0134	0.1527	0.1519
Mycobacterium tuberculosis	Conserved protein	0.0025	0.0093	0.0241
Echinococcus multilocularis	microtubule associated protein 2	0.0778	1	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0085	0.0878	0.087
Echinococcus multilocularis	serine threonine protein kinase	0.0026	0.0105	0.0097
Leishmania major	phosphopantetheinyl transferase-like protein	0.0024	0.0078	0.015
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0489	0.0646
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.018	0.0171
Schistosoma mansoni	protein phosphatase 2C	0.0035	0.0223	0.0214
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.2942	0.395
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0026	0.0105	0.0312
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0085	0.0878	0.087
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0026	0.0105	0.0312
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0254	0.3101	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Onchocerca volvulus	Alhambra homolog	0.0058	0.0532	0.1369
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0308	0.0414
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0035	0.0223	0.4092
Loa Loa (eye worm)	jmjC domain-containing protein	0.0134	0.1527	0.4909
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Onchocerca volvulus		0.0042	0.0321	0.0612
Brugia malayi	chromobox protein homolog 3	0.0038	0.027	0.0846
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.005	0.0424	0.0416
Trypanosoma cruzi	Protein kinase B	0.0055	0.0489	0.1035
Echinococcus granulosus	protein kinase c iota type	0.0026	0.0105	0.0097
Schistosoma mansoni	phd/f-box containing protein	0.0035	0.0223	0.0214
Echinococcus granulosus	lysine specific demethylase 5A	0.0134	0.1527	0.1519
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0532	0.7003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0779	0.0771
Leishmania major	hypothetical protein, conserved	0.0216	0.2611	0.5606
Echinococcus multilocularis	cpg binding protein	0.0033	0.0196	0.0188
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.005	0.0424	0.7936
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0584	0.7449	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0123	0.0165
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0019	0.0016	0.0016
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0021	0.004	0.0593
Giardia lamblia	Kinase, AGC PKA	0.005	0.0424	0.0558
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0026	0.0105	0.0312
Mycobacterium tuberculosis	Probable oxidoreductase	0.0274	0.3367	0.9566
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0026	0.0105	0.0312
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0779	0.0771
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0123	0.0165
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.005	0.0424	0.7936
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0532	1
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0025	0.0093	0.0241
Echinococcus granulosus	protein kinase c epsilon type	0.0026	0.0105	0.0097
Echinococcus multilocularis	lysine specific demethylase 6a	0.0035	0.0223	0.0214
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0394	0.0385
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 53 uM	Cytotoxicity against human BxPC3 cells by MTT assay	ChEMBL.	21353784
Kd (binding)	= 58900 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 6700 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 5.6 uM	Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay	ChEMBL.	21353784

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: CHEMBL1685049

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1504366