TDR Targets

Basic information

Technical information

TDR Targets ID: 1130013
Name: N-[1-(2-hydroxyethylamino)-1-oxo-3-[(2R,3R,4S ,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa n-2-yl]oxypropan-2-yl]tetradecanamide
MW: 520.657 | Formula: C25H48N2O9
H donors: 7 H acceptors: 7 LogP: 2.2 Rotable bonds: 22
Rule of 5 violations (Lipinski): 3
SMILES: OCCNC(=O)C(NC(=O)CCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
InChi: 1S/C25H48N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(30)27-18(24(34)26-14-15-28)17-35-25-23(33)22(32)21(31)19(16-29)36-25/h18-19,21-23,25,28-29,31-33H,2-17H2,1H3,(H,26,34)(H,27,30)/t18?,19-,21+,22+,23-,25-/m1/s1
InChiKey: NMSPAYSJJAZZIO-DRAOLWNLSA-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

N-[2-(2-hydroxyethylamino)-2-oxo-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]ethyl]tetradecanamide
N-[2-(2-hydroxyethylamino)-2-oxo-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]ethyl]tetradecanamide
N-[2-(2-hydroxyethylamino)-2-keto-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]ethyl]myristamide
N-[1-(2-hydroxyethylamino)-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propan-2-yl]tetradecanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.003	0.0191	0.017
Onchocerca volvulus		0.0109	0.1329	1
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0057	0.0575	0.074
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0035	0.0261	0.032
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0117	0.0127
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0035	0.0261	0.032
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0308	0.0287
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0308	0.9355
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0056	0.0564	0.1215
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0308	0.0637
Echinococcus multilocularis	survival motor neuron protein 1	0.0534	0.7497	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0035	0.0261	0.024
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0138	0.4018
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0308	0.0137
Echinococcus granulosus	Diacylglycerol kinase theta	0.0056	0.0564	0.0725
Brugia malayi	protein kinase C II.	0.0166	0.2158	0.2352
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0388	0.5876
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0035	0.0261	0.4917
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0308	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0031	0.02	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0002
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0388	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Echinococcus granulosus	N chimaerin	0.0056	0.0564	0.0725
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0035	0.0261	0.032
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0388	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0002
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0028	0.0154	0.0437
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0308	0.0637
Echinococcus granulosus	protein kinase c iota type	0.0091	0.1076	0.1411
Echinococcus multilocularis	muscleblind protein 1	0.0319	0.4377	0.5827
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0308	0.0903
Trichomonas vaginalis	esterase, putative	0.0039	0.0308	0.0137
Echinococcus multilocularis	unc 13 (munc13)	0.0061	0.0639	0.0826
Brugia malayi	Protein kinase domain containing protein	0.0035	0.0261	0.0284
Brugia malayi	Protein kinase domain containing protein	0.0035	0.0261	0.0284
Brugia malayi	p70 ribosomal S6 kinase beta	0.0035	0.0261	0.0284
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0024	0.0045
Brugia malayi	glutaminase DH11.1	0.0326	0.4482	0.4885
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0339	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0308	0.6794
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0056	0.0564	0.0725
Schistosoma mansoni	hypothetical protein	0.0202	0.2683	0.5966
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0308	0.0137
Schistosoma mansoni	glutaminase	0.0326	0.4482	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0308	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0261	0.024
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0308	0.0642
Brugia malayi	Inositol-1	0.0044	0.0388	0.0423
Echinococcus multilocularis	N chimaerin	0.0056	0.0564	0.0725
Schistosoma mansoni	rac gtpase activating protein	0.0056	0.0564	0.1215
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0308	0.0137
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0035	0.0261	0.032
Loa Loa (eye worm)	inositol-1	0.0044	0.0388	0.0367
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0308	0.0637
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.022	0.294	0.3904
Schistosoma mansoni	intermediate filament proteins	0.0031	0.02	0.0399
Echinococcus multilocularis	protein kinase c eta type	0.0056	0.0564	0.0725
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0056	0.0564	0.0725
Echinococcus granulosus	survival motor neuron protein 1	0.0534	0.7497	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0534	0.7497	0.7492
Brugia malayi	RhoGAP domain containing protein	0.0056	0.0564	0.0614
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0308	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0308	0.0336
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0056	0.0564	0.1215
Onchocerca volvulus		0.0056	0.0564	0.3687
Schistosoma mansoni	atypical protein kinase C	0.0091	0.1076	0.2364
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0117	0.0127
Toxoplasma gondii	diacylglycerol kinase, putative	0.0056	0.0564	1
Schistosoma mansoni	protein kinase C	0.0061	0.0639	0.1384
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0057	0.0575	0.0554
Echinococcus multilocularis	lamin	0.0031	0.02	0.0238
Loa Loa (eye worm)	glutaminase 2	0.0326	0.4482	0.447
Echinococcus granulosus	muscleblind protein	0.0319	0.4377	0.5827
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1188	0.1169
Schistosoma mansoni	serine/threonine protein kinase	0.022	0.294	0.6542
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0056	0.0564	0.0725
Schistosoma mansoni	survival motor neuron protein	0.0109	0.1329	0.2931
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0129	0.1623	0.1605
Brugia malayi	C1-like domain containing protein	0.0057	0.0575	0.0626
Schistosoma mansoni	hypothetical protein	0.0056	0.0564	0.1215
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0035	0.0261	0.024
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0028	0.0154	0.5
Schistosoma mansoni	lamin	0.0031	0.02	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0388	0.0327
Leishmania major	phosphopantetheinyl transferase-like protein	0.0028	0.0154	0.1348
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0138	0.8804
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0117	0.0326
Echinococcus multilocularis	serine threonine protein kinase	0.0164	0.2125	0.2813
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0117	0.0209
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0308	0.6794
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0388	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0035	0.0261	0.032
Onchocerca volvulus		0.0039	0.0308	0.1576
Schistosoma mansoni	hypothetical protein	0.0041	0.0339	0.0711
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.0612	0.0667
Brugia malayi	hypothetical protein	0.0534	0.7497	0.817
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0061	0.0639	0.0826
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0028	0.0154	0.0364
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0308	0.0903
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0109	0.1329	0.1448
Onchocerca volvulus		0.0061	0.0639	0.4308
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0002
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0388	0.049
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0308	0.0903
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0388	1
Trichomonas vaginalis	glutaminase, putative	0.0326	0.4482	1
Echinococcus granulosus	protein kinase C gamma type	0.0164	0.2125	0.2813
Schistosoma mansoni	vav2	0.0056	0.0564	0.1215
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0388	0.049
Echinococcus multilocularis	lamin dm0	0.0031	0.02	0.0238
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0308	0.0287
Brugia malayi	Pleckstrin Homology Domain	0.0056	0.0564	0.0614
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0308	0.6794
Schistosoma mansoni	protein kinase C mu	0.0057	0.0575	0.124
Schistosoma mansoni	protein kinase C mu	0.0056	0.0564	0.1215
Loa Loa (eye worm)	hypothetical protein	0.0319	0.4377	0.4365
Entamoeba histolytica	diacylglycerol kinase, putative	0.0056	0.0564	0.6883
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0261	0.0536
Echinococcus granulosus	geminin	0.0202	0.2683	0.356
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0035	0.0261	0.024
Loa Loa (eye worm)	MH2 domain-containing protein	0.0138	0.1745	0.1727
Brugia malayi	RhoGAP domain containing protein	0.0056	0.0564	0.0614
Echinococcus granulosus	L aminoadipate semialdehyde	0.0099	0.1188	0.1561
Echinococcus multilocularis	geminin	0.0202	0.2683	0.356
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0056	0.0564	0.0543
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.0612	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0576	0.0555
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0261	0.0536
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Brugia malayi	Ras association domain family 1 isoform A	0.0056	0.0564	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1537	0.1519
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0035	0.0261	0.024
Toxoplasma gondii	ABC1 family protein	0.0039	0.0308	0.3992
Onchocerca volvulus		0.0039	0.0308	0.1576
Echinococcus granulosus	myotubularin protein 13	0.0056	0.0564	0.0725
Loa Loa (eye worm)	raf kinase	0.0056	0.0564	0.0543
Echinococcus multilocularis	myotubularin protein 13	0.0056	0.0564	0.0725
Brugia malayi	diacylglycerol kinase	0.0056	0.0564	0.0614
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0056	0.0564	0.0543
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0099	0.1188	0.1561
Mycobacterium ulcerans	glutaminase	0.0326	0.4482	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.02	0.0217
Entamoeba histolytica	protein kinase, putative	0.0035	0.0261	0.2219
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0117	0.0209
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0035	0.0261	0.032
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0261	0.0536
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0117	0.0209
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0039	0.0321	0.0943
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0575	0.124
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Schistosoma mansoni	diacylglycerol kinase theta	0.0056	0.0564	0.1215
Echinococcus granulosus	serine:threonine protein kinase N2	0.007	0.0766	0.0996
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0117	0.0326
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0166	0.2158	0.2141
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0117	0.0209
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0576	0.1242
Echinococcus granulosus	lamin dm0	0.0031	0.02	0.0238
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0057	0.0575	0.0626
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0308	0.0903
Leishmania major	hypothetical protein, conserved	0.0027	0.0138	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0319	0.4377	0.4365
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0308	0.0903
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0575	0.124
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0117	0.0095
Brugia malayi	intermediate filament protein	0.0031	0.02	0.0217
Schistosoma mansoni	serine/threonine kinase	0.0035	0.0261	0.0536
Schistosoma mansoni	hypothetical protein	0.0109	0.1329	0.2931
Echinococcus granulosus	unc 13 munc13	0.0061	0.0639	0.0826
Schistosoma mansoni	unc-13 (munc13)	0.0061	0.0639	0.1384
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0056	0.0564	0.0725
Echinococcus granulosus	protein kinase c epsilon type	0.0166	0.2158	0.2858
Brugia malayi	Protein kinase c protein 2	0.0185	0.2439	0.2657
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0138	0.8804
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0308	0.0383
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.0388	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0123	0.1537	0.2027
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0002
Entamoeba histolytica	diacylglycerol kinase, putative	0.0056	0.0564	0.6883
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0308	0.0137
Entamoeba histolytica	protein kinase, putative	0.0035	0.0261	0.2219
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0099	0.1188	0.2615
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0308	0.0903
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0308	0.0637
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Schistosoma mansoni	serine/threonine protein kinase	0.022	0.294	0.6542
Echinococcus granulosus	protein kinase c eta type	0.0056	0.0564	0.0725
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0028	0.0154	0.0291
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.0388	0.0817
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0057	0.0575	0.074
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0308	0.0903
Entamoeba histolytica	PH domain containing protein kinase, putative	0.007	0.0766	1
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0261	0.0536
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0099	0.1188	0.1295
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0117	0.0127
Echinococcus granulosus	serine:threonine protein kinase N2	0.0035	0.0261	0.032
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0117	0.0209
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0056	0.0564	0.0543
Brugia malayi	RasGEF domain containing protein	0.0649	0.9177	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.02	0.0178
Echinococcus granulosus	lamin	0.0031	0.02	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0117	0.0095
Entamoeba histolytica	protein kinase, putative	0.0035	0.0261	0.2219
Brugia malayi	Variant SH3 domain containing protein	0.0056	0.0564	0.0614
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.3323	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0308	0.0137
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0564	0.1215
Onchocerca volvulus		0.0039	0.0308	0.1576
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0117	0.0209
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0388	0.0327
Entamoeba histolytica	protein kinase, putative	0.0035	0.0261	0.2219
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0308	0.0903
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0057	0.0575	0.0554
Mycobacterium ulcerans	lipase LipD	0.0039	0.0308	0.0637
Loa Loa (eye worm)	transcription factor SMAD2	0.0138	0.1745	0.1727
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0154	1
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0154	0.062
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0061	0.0639	0.0826
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0056	0.0564	0.0725
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0308	0.0903
Entamoeba histolytica	hypothetical protein	0.0028	0.0154	0.0563
Brugia malayi	beta-lactamase family protein	0.0039	0.0308	0.0336
Echinococcus multilocularis	musashi	0.0031	0.02	0.0238
Brugia malayi	RhoGEF domain containing protein	0.0056	0.0564	0.0614
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0388	1
Onchocerca volvulus		0.0057	0.0576	0.3784
Schistosoma mansoni	lamin	0.0031	0.02	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0639	0.0619
Schistosoma mansoni	hypothetical protein	0.0202	0.2683	0.5966
Echinococcus granulosus	raf serine:threonine protein kinase	0.0056	0.0564	0.0725
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0028	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Brugia malayi	Muscleblind-like protein	0.0319	0.4377	0.477
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0035	0.0261	0.032
Onchocerca volvulus		0.0031	0.02	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0117	0.0095
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.0388	0.4178
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0105	0.1268	0.1667
Echinococcus granulosus	intermediate filament protein	0.0031	0.02	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Echinococcus granulosus	Protein kinase C brain isozyme	0.022	0.294	0.3904
Brugia malayi	beta-lactamase family protein	0.0039	0.0308	0.0336
Echinococcus multilocularis	protein kinase c epsilon type	0.0166	0.2158	0.2858
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.0612	0.0667
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0039	0.0321	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0612	0.0591
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0022	0.0024
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0388	0.0822
Loa Loa (eye worm)	glutaminase	0.0326	0.4482	0.447
Leishmania major	hypothetical protein, conserved	0.0039	0.0308	0.7043
Brugia malayi	protein kinase C3,putative	0.0057	0.0575	0.0626
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0035	0.0261	0.024
Echinococcus granulosus	RNA directed DNA polymerase	0.0123	0.1537	0.2027
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0154	0.1791
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0117	0.0209
Echinococcus granulosus	NDR protein kinase	0.0035	0.0261	0.032
Echinococcus multilocularis	protein kinase c iota type	0.0091	0.1076	0.1411
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0154	0.4564
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0308	1
Echinococcus granulosus	Rac GTPase activating protein 1	0.0056	0.0564	0.0725
Schistosoma mansoni	serine/threonine protein kinase	0.0166	0.2158	0.4789
Echinococcus multilocularis	muscleblind protein	0.0319	0.4377	0.5827
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0035	0.0261	0.024
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0117	0.0209
Brugia malayi	beta-lactamase	0.0039	0.0308	0.0336
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0028	0.0154	0.0364
Onchocerca volvulus		0.0099	0.1188	0.884
Brugia malayi	Protein kinase domain containing protein	0.0057	0.0575	0.0626
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0308	0.9355
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0028	0.0154	0.0291
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0035	0.0261	0.032
Entamoeba histolytica	hypothetical protein	0.0056	0.0564	0.6883
Schistosoma mansoni	unc-13 (munc13)	0.0061	0.0639	0.1384
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Onchocerca volvulus		0.0056	0.0564	0.3687
Echinococcus multilocularis	tumor protein p63	0.0389	0.5399	0.7194
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0261	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2352	0.2336
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0339	0.0318
Brugia malayi	Protein kinase domain containing protein	0.0035	0.0261	0.0284
Onchocerca volvulus		0.0031	0.02	0.0681
Brugia malayi	hypothetical protein	0.0027	0.0138	0.015
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0035	0.0261	0.024
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.02	0.0178
Toxoplasma gondii	AGC kinase	0.0035	0.0261	0.2889
Brugia malayi	Hr1 repeat family protein	0.0035	0.0261	0.0284
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0388	0.0327
Echinococcus granulosus	tumor protein p63	0.0389	0.5399	0.7194
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0308	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0564	0.0543
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0022	0.0024
Brugia malayi	MH2 domain containing protein	0.0138	0.1745	0.1902
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0138	0.0117
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0123	0.1537	0.2027
Schistosoma mansoni	diacylglycerol kinase theta	0.0056	0.0564	0.1215
Brugia malayi	diacylglycerol kinase	0.0056	0.0564	0.0614

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 100 uM	Cytotoxicity of the compound was evaluated in vitro on CEM-SS cells	ChEMBL.	11405656
CC50 (functional)	> 100 uM	Cytotoxicity of the compound was evaluated in vitro on MT-4 cells	ChEMBL.	11405656
IC50 (functional)	> 100 uM	Anti-HIV-1 activity evaluated in vitro on CEM-SS cells	ChEMBL.	11405656
IC50 (functional)	> 100 uM	Anti-HIV-1 activity evaluated in vitro on MT-4 cells	ChEMBL.	11405656

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.

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External resources for this compound

ChEMBL: CHEMBL1159414

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1130013