TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.609 | Formula: C20H31N3O2S2
H donors: 1 H acceptors: 4 LogP: 7.44 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
InChi: 1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
InChiKey: BYWWNRBKPCPJMG-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	Starlite/ChEMBL	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
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	calcium:calmodulin dependent 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
Plasmodium yoelii	kinase Akt/PKB-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
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Neospora caninum	Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related	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 granulosus	serine/threonine 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
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
Echinococcus multilocularis	nervana 2	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
Brugia malayi	p70 ribosomal S6 kinase beta	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 cruzi	Protein kinase B	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
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein 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
Entamoeba histolytica	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
Echinococcus granulosus	nervana 2	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
Trichomonas vaginalis	AGC family protein 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
Schistosoma japonicum	ko:K07390 monothiol glutaredoxin, putative	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
Schistosoma mansoni	serine/threonine-protein kinase	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	Glutaredoxin protein 5	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
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
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	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
Schistosoma japonicum	RAC serine/threonine-protein kinase, putative	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
Trypanosoma cruzi	rac serine-threonine kinase, putative	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	protein kinase	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
Trypanosoma cruzi	rac serine-threonine kinase, 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
Trichomonas vaginalis	AGC family protein kinase	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 granulosus	serine threonine protein kinase nrc	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
Entamoeba histolytica	PH domain containing protein kinase, putative	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
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated kinase, putative	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
Echinococcus multilocularis	serine threonine protein kinase	0.0026	0.0105	0.0097
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0085	0.0878	0.087
Mycobacterium tuberculosis	Conserved protein	0.0025	0.0093	0.0241
Echinococcus multilocularis	microtubule associated protein 2	0.0778	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0134	0.1527	0.1519
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0493
Mycobacterium ulcerans	short chain dehydrogenase	0.0274	0.3367	0.9566
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0308	0.0568
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0026	0.0105	0.0312
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.2942	0.395
Schistosoma mansoni	protein phosphatase 2C	0.0035	0.0223	0.0214
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.018	0.0171
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0489	0.0646
Leishmania major	phosphopantetheinyl transferase-like protein	0.0024	0.0078	0.015
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0085	0.0878	0.087
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0026	0.0105	0.0312
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Brugia malayi	Bromodomain containing protein	0.0038	0.026	0.0814
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
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
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0679	0.2168
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
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
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0666	0.0657
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0559	0.0551
Schistosoma mansoni	serine/threonine-protein kinase	0.0055	0.0489	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0068	0.066	0.2107
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
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0026	0.0105	0.0097
Echinococcus multilocularis	GPCR, family 2	0.0031	0.018	0.0171
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0025	0.0093	0.0085
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.018	0.0553
Giardia lamblia	Kinase, AGC PKA	0.005	0.0424	0.0558
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0021	0.004	0.0593
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0123	0.0165
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0779	0.0771
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0026	0.0105	0.0312
Mycobacterium tuberculosis	Probable oxidoreductase	0.0274	0.3367	0.9566
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0026	0.0105	0.0312
Echinococcus granulosus	protein kinase c epsilon type	0.0026	0.0105	0.0097
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0025	0.0093	0.0241
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0532	1
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.005	0.0424	0.7936
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0394	0.0385
Echinococcus multilocularis	lysine specific demethylase 6a	0.0035	0.0223	0.0214
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
Onchocerca volvulus	Alhambra homolog	0.0058	0.0532	0.1369
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0308	0.0414
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0254	0.3101	1
Echinococcus granulosus	protein kinase c iota type	0.0026	0.0105	0.0097
Trypanosoma cruzi	Protein kinase B	0.0055	0.0489	0.1035
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.005	0.0424	0.0416
Brugia malayi	chromobox protein homolog 3	0.0038	0.027	0.0846
Onchocerca volvulus		0.0042	0.0321	0.0612
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0532	0.7003
Echinococcus granulosus	lysine specific demethylase 5A	0.0134	0.1527	0.1519
Schistosoma mansoni	phd/f-box containing protein	0.0035	0.0223	0.0214
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0019	0.0016	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0123	0.0165
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0584	0.7449	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.005	0.0424	0.7936
Leishmania major	hypothetical protein, conserved	0.0216	0.2611	0.5606
Echinococcus multilocularis	cpg binding protein	0.0033	0.0196	0.0188
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0779	0.0771
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
Echinococcus multilocularis	protein kinase c epsilon type	0.0026	0.0105	0.0097
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
Brugia malayi	Pre-SET motif family protein	0.0212	0.2558	0.8243
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0026	0.0105	0.0097
Onchocerca volvulus		0.0242	0.2942	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0035	0.0223	0.0214
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1074	0.3446
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
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
Entamoeba histolytica	hypothetical protein	0.0024	0.0078	0.0094
Entamoeba histolytica	protein kinase, putative	0.0026	0.0105	0.013
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0085	0.0878	0.281
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0394	0.0385
Echinococcus multilocularis	JmjC domain containing protein 4	0.0035	0.0223	0.0214
Plasmodium falciparum	phd finger protein, putative	0.0058	0.0532	1
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Brugia malayi	Protein kinase domain containing protein	0.008	0.0821	0.2628
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0666	0.2124
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0078	0.015
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0173	0.0165
Schistosoma mansoni	serine/threonine kinase	0.0026	0.0105	0.0097
Brugia malayi	F/Y-rich N-terminus family protein	0.0031	0.0173	0.0531
Entamoeba histolytica	protein kinase, putative	0.008	0.0821	0.1092
Toxoplasma gondii	PHD-finger domain-containing protein	0.0058	0.0532	0.7003
Loa Loa (eye worm)	PHD-finger family protein	0.0058	0.0532	0.1693
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.018	0.0553
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
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0261	0.0817
Echinococcus granulosus	PHD finger protein rhinoceros	0.0058	0.0532	0.0524
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0779	0.0771
Trypanosoma brucei	hypothetical protein, conserved	0.0216	0.2611	0.5606
Schistosoma mansoni	hypothetical protein	0.0068	0.066	0.0652
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0285	0.3519	1
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0078	0.1334
Echinococcus granulosus	L aminoadipate semialdehyde	0.0085	0.0878	0.087
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0055	0.0489	0.0646
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0173	0.2204
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2072	0.2781
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
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	conserved hypothetical protein	0.0038	0.027	0.0363
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1074	0.3446
Schistosoma mansoni	serine/threonine-protein kinase	0.0055	0.0489	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0394	0.1245
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0026	0.0105	0.0097
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0026	0.0105	0.0097
Schistosoma mansoni	cpg binding protein	0.0029	0.015	0.0141
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0078	0.1334
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0559	0.0551
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0058	0.0532	0.0524
Loa Loa (eye worm)	hypothetical protein	0.004	0.0292	0.0916
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0035	0.0223	0.0462
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.027	0.0431
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0666	0.0893
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2072	0.2781
Echinococcus multilocularis	rac serine:threonine kinase	0.0055	0.0489	0.0481
Echinococcus granulosus	GPCR family 2	0.0031	0.018	0.0171
Leishmania major	hypothetical protein, conserved	0.0035	0.0223	0.0462
Onchocerca volvulus	Glucosylceramidase homolog	0.0166	0.1954	0.6462
Schistosoma mansoni	atypical protein kinase C	0.0026	0.0105	0.0097
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0371	0.4651	0.6239
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Echinococcus multilocularis	peregrin	0.0061	0.0563	0.0555
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0371	0.4651	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.0666	0.0657
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0605	0.0597
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0025	0.0093	0.0125
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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0394	0.0385
Schistosoma mansoni	serine/threonine protein kinase	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
Echinococcus granulosus	lysine specific demethylase 6a	0.0035	0.0223	0.0214
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.2611	0.5606
Echinococcus granulosus	chromobox protein 1	0.0068	0.0666	0.0657
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0221
Echinococcus multilocularis	lysine specific demethylase 5A	0.013	0.148	0.1473
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
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
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0251	0.3063	0.3057
Echinococcus granulosus	jumonji domain containing 1A	0.0035	0.0223	0.0214
Treponema pallidum	fructose-bisphosphate aldolase	0.0584	0.7449	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0105	0.0097
Plasmodium vivax	SET domain protein, putative	0.0031	0.0173	0.3147
Echinococcus multilocularis	jumonji domain containing 1A	0.0035	0.0223	0.0214
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0058	0.0532	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0693
Brugia malayi	jmjC domain containing protein	0.0251	0.3063	0.9875
Entamoeba histolytica	hypothetical protein, conserved	0.0371	0.4651	0.6239
Echinococcus multilocularis	phd:f box containing protein	0.0035	0.0223	0.0214
Echinococcus granulosus	Protein kinase C brain isozyme	0.0026	0.0105	0.0097
Echinococcus granulosus	jumonji domain containing protein	0.0081	0.0832	0.0824
Trichomonas vaginalis	AGC family protein kinase	0.0031	0.017	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0063	0.0175
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
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0371	0.4651	1
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.004	0.0593
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0666	0.0893
Brugia malayi	PHD-finger family protein	0.0023	0.0063	0.0175
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Trypanosoma cruzi	hypothetical protein, conserved	0.0216	0.2611	0.5606
Brugia malayi	AF-10 protein	0.0019	0.0016	0.0025
Echinococcus granulosus	nervana 2	0.005	0.0417	0.0409
Onchocerca volvulus		0.0085	0.0878	0.2607
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0308	0.0414
Schistosoma mansoni	cpg binding protein	0.0033	0.0196	0.0188
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Trypanosoma brucei	rac serine-threonine kinase, putative	0.008	0.0821	0.1751
Trichomonas vaginalis	conserved hypothetical protein	0.0371	0.4651	0.6243
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0026	0.0105	0.0097
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
Schistosoma mansoni	hypothetical protein	0.0371	0.4651	0.4646
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0371	0.4651	1
Plasmodium vivax	JmjC domain containing protein	0.0035	0.0223	0.4092
Entamoeba histolytica	hypothetical protein	0.0077	0.0779	0.1035
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.005	0.0417	0.0409
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
Schistosoma mansoni	hypothetical protein	0.0019	0.0016	0.0008
Toxoplasma gondii	PHD-finger domain-containing protein	0.0019	0.0016	0.0102
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0079	0.007
Loa Loa (eye worm)	hypothetical protein	0.0031	0.018	0.0553
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0079	0.007
Trichomonas vaginalis	glucosylceramidase, putative	0.0254	0.3101	0.4163
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0078	0.5
Echinococcus granulosus	serine:threonine protein kinase N2	0.0026	0.0105	0.0097
Echinococcus granulosus	protein kinase C gamma type	0.0026	0.0105	0.0097
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0035	0.0223	0.0462
Onchocerca volvulus		0.003	0.0161	0.0041
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Schistosoma mansoni	zinc finger protein	0.0021	0.004	0.0032
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0285	0.3519	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0055	0.0489	0.1035
Schistosoma mansoni	phosphatidylserine receptor	0.0035	0.0223	0.0214
Echinococcus multilocularis	nervana 2	0.005	0.0417	0.0409
Echinococcus multilocularis	jumonji domain containing protein	0.0081	0.0832	0.0824
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1074	0.3446
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0093	0.0241
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0371	0.4651	1
Schistosoma mansoni	jumonji domain containing protein	0.0211	0.2547	0.254
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	microtubule-associated protein tau	0.0778	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0009	0.0012
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Schistosoma mansoni	hypothetical protein	0.002	0.0032	0.0024
Loa Loa (eye worm)	jmjC domain-containing protein	0.012	0.1348	0.4332
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1074	0.3446
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0025	0.0093	0.0183
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0105	0.0312
Brugia malayi	Bromodomain containing protein	0.0075	0.0756	0.2418
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Echinococcus granulosus	serine threonine protein kinase nrc	0.005	0.0424	0.0416
Echinococcus granulosus	serine/threonine protein kinase	0.0055	0.0489	0.0481
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Toxoplasma gondii	AGC kinase	0.0075	0.0756	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0038	0.0269	0.0261
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0024	0.0078	0.0934
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0595	0.0587
Giardia lamblia	Fructose-bisphosphate aldolase	0.0584	0.7449	1
Schistosoma mansoni	hypothetical protein	0.0077	0.0779	0.0771
Echinococcus granulosus	nervana 2	0.005	0.0417	0.0409
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.015	0.0457
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.015	0.0142
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Schistosoma mansoni	hypothetical protein	0.0058	0.0532	0.0524
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0093	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0532	0.1693
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.018	0.0171
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0024	0.0078	0.0934
Schistosoma mansoni	jumonji domain containing protein	0.0035	0.0223	0.0214
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0371	0.4651	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0025	0.0093	0.0241
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0027	0.0126	0.0118
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0539	0.709
Echinococcus granulosus	JmjC domain containing protein 4	0.0035	0.0223	0.0214
Echinococcus granulosus	zinc finger protein	0.0021	0.004	0.0032
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0075	0.0756	0.2418
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
Schistosoma mansoni	hypothetical protein	0.0416	0.5236	0.5232
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
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 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
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0026	0.0105	0.0097
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0371	0.4651	0.4646
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0134	0.1527	0.1519
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0223	0.0693
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.066	0.2107
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.027	0.0846
Echinococcus multilocularis	Glutaredoxin protein 5	0.005	0.0417	0.0409
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Brugia malayi	p70 ribosomal S6 kinase beta	0.0075	0.0756	0.2418
Giardia lamblia	PHD finger protein 15	0.0058	0.0532	0.0704
Brugia malayi	hypothetical protein	0.0077	0.0779	0.2491
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0105	0.0141
Trichomonas vaginalis	AGC family protein kinase	0.008	0.0821	0.1103
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0666	0.0657
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0035	0.0223	0.2866
Entamoeba histolytica	protein kinase, putative	0.0075	0.0756	0.1005
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0078	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.027	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0025	0.0098	0.0131
Entamoeba histolytica	protein kinase, putative	0.008	0.0821	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0338	0.1066
Schistosoma mansoni	chromobox protein	0.0068	0.0666	0.0657
Giardia lamblia	Rrm3p helicase	0.0371	0.4651	0.6239
Brugia malayi	PHD-finger family protein	0.0026	0.0109	0.0326
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0254	0.3101	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
Schistosoma mansoni	chromobox protein	0.0068	0.0666	0.0657
Brugia malayi	Heterochromatin protein 1	0.0068	0.0666	0.2124
Echinococcus multilocularis	zinc finger protein	0.0021	0.004	0.0032
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	Hr1 repeat family protein	0.0026	0.0105	0.0312
Echinococcus granulosus	dnaJ subfamily B	0.0416	0.5236	0.5232
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2558	0.8243
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0584	0.7449	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1289	0.4142
Loa Loa (eye worm)	AGC/AKT protein kinase	0.008	0.0821	0.2628
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0105	0.0097
Brugia malayi	PHD-finger family protein	0.0058	0.0532	0.1693
Brugia malayi	Pre-SET motif family protein	0.0031	0.0173	0.0533
Brugia malayi	jmjC domain containing protein	0.0134	0.1527	0.4909
Echinococcus granulosus	cpg binding protein	0.0033	0.0196	0.0188
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0093	0.0241
Schistosoma mansoni	cpg binding protein	0.0033	0.0196	0.0188
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0394	0.0385
Echinococcus multilocularis	nervana 2	0.005	0.0417	0.0409
Echinococcus granulosus	Glutaredoxin protein 5	0.005	0.0417	0.0409
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.1954	0.2623
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	0.0254	0.3101	0.4163
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0078	0.0094
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0009	0.0012
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Brugia malayi	jmjC domain containing protein	0.0035	0.0223	0.0693
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0024	0.0078	0.0199
Schistosoma mansoni	hypothetical protein	0.0031	0.018	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0693
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0371	0.4651	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0878	0.281
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0026	0.0105	0.0312

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6300 nM	Cellular Assay	BINDINGDB.	No reference
IC50 (binding)	= 10000 nM	Cellular Assay	BINDINGDB.	No reference
IC50 (binding)	= 6.3 uM	Inhibition of Akt phosphorylation in human BxPC3 cells by Western blotting	ChEMBL.	19734051
IC50 (functional)	= 57 uM	Cytotoxicity against human BxPC3 cells by MTT assay	ChEMBL.	21353784
Inhibition (binding)	= 50 %	Inhibition of Akt phosphorylation in human HT-29 cells after 12 hrs by Western blotting	ChEMBL.	19734051
Inhibition (binding)	= 70 %	Inhibition of Akt phosphorylation in human HT-29 cells after 6 hrs by Western blotting	ChEMBL.	19734051
Kd (binding)	= 13490 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Kd (binding)	= 13490 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Kd (binding)	= 40800 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Kd (binding)	= 40800 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Kd (binding)	= 40.8 uM	Inhibition of pleckstrin homology domain of AKT by surface plasmon resonance spectroscopy	ChEMBL.	19734051
Ki (binding)	= 2400 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 2400 nM	SPR Competitive Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 2.4 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: CHEMBL595583

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1093783