TDR Targets

Basic information

Technical information

TDR Targets ID: 374200
Name: methyl (2S)-2-[[[(1S,4R)-4-(6-aminopurin-9-yl )cyclopent-2-en-1-yl]methoxy-phenoxyphosphory l]amino]propanoate
MW: 472.434 | Formula: C21H25N6O5P
H donors: 2 H acceptors: 5 LogP: 1.83 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@@H](NP(=O)(Oc1ccccc1)OC[C@@H]1C=C[C@@H](C1)n1cnc2c1ncnc2N)C
InChi: 1S/C21H25N6O5P/c1-14(21(28)30-2)26-33(29,32-17-6-4-3-5-7-17)31-11-15-8-9-16(10-15)27-13-25-18-19(22)23-12-24-20(18)27/h3-9,12-16H,10-11H2,1-2H3,(H,26,29)(H2,22,23,24)/t14-,15+,16-,33?/m0/s1
InChiKey: JQCWHQXHFADPTJ-JZBYDCRKSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

methyl (2S)-2-[[[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
(2S)-2-[[[(1S,4R)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester
(2S)-2-[[[(1S,4R)-4-adenin-9-ylcyclopent-2-en-1-yl]methoxy-phenoxy-phosphoryl]amino]propionic acid methyl ester
methyl (2S)-2-[[[(1S,4R)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]methoxy-(phenoxy)phosphoryl]amino]propanoate
(2S)-2-[[[(1S,4R)-4-(6-amino-9-purinyl)-1-cyclopent-2-enyl]methoxy-(phenoxy)phosphoryl]amino]propanoic acid methyl ester
(2S)-2-[[[(1S,4R)-4-(6-aminopurin-9-yl)-1-cyclopent-2-enyl]methoxy-(phenoxy)phosphoryl]amino]propionic acid methyl ester
(S)-2-{[(1S,4R)-4-(6-Amino-purin-9-yl)-cyclopent-2-enylmethoxy]-phenoxy-phosphorylamino}-propionic acid methyl ester
AIDS-188460
AIDS188460

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0193	0.2655	0.2655
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0092	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0284	0.0628
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0193	0.2655	0.9123
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0091	0.1163	0.3997
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0193	0.2655	0.9123
Plasmodium vivax	SET domain protein, putative	0.003	0.0273	0.1307
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.1427	0.8837
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0074	0.0074
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.1427	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0399
Trypanosoma brucei	trypanothione reductase	0.0048	0.0531	0.227
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0193	0.2655	0.9123
Loa Loa (eye worm)	thymidylate synthase	0.011	0.1434	0.3169
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.291	0.6432
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0002	0.0002
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.1427	0.8837
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0193	0.2655	0.9123
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.0531	0.227
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0193	0.2655	0.5868
Echinococcus granulosus	chromobox protein 1	0.007	0.0862	0.0862
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0531	0.2543
Brugia malayi	ecdysone receptor	0.0091	0.1163	0.3997
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0154	0.2087	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0181	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Schistosoma mansoni	nuclear receptor nhr-48	0.0091	0.1163	0.1163
Mycobacterium tuberculosis	Probable reductase	0.0109	0.1427	0.8837
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0273	0.0273
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0166	0.0367
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0181	0.0531
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0361	0.0361
Echinococcus multilocularis	nuclear receptor nhr 48	0.0091	0.1163	0.1163
Schistosoma mansoni	RAR-like nuclear receptor	0.0193	0.2655	0.2655
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0009	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0409	0.1226
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0531	0.1173
Brugia malayi	nuclear receptor NHR-88	0.0091	0.1163	0.3997
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.038	0.1141
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0074	0.0074
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0102	0.1323	0.2924
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0862	0.2584
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0531	0.2543
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0193	0.2655	0.2655
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0166	0.057
Echinococcus multilocularis	chromobox protein 1	0.007	0.0862	0.0862
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0181	0.0621
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0193	0.2655	0.2655
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.0002	0.0002
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0091	0.1163	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0321	0.4524	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0002	0.0004
Brugia malayi	hypothetical protein	0.0091	0.1163	0.3997
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0092	0.0204
Schistosoma mansoni	nuclear hormone receptor	0.0091	0.1163	0.1163
Echinococcus granulosus	Chromobox protein 3	0.0012	0.000000018494	0.000000018494
Mycobacterium tuberculosis	Hypothetical protein	0.0052	0.0594	0.3396
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0193	0.2655	0.2655
Echinococcus granulosus	nuclear receptor nhr 48	0.0091	0.1163	0.1163
Echinococcus multilocularis	microtubule associated protein 2	0.0695	1	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0091	0.1163	0.1163
Echinococcus multilocularis	dihydrofolate reductase	0.0045	0.0485	0.0485
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0091	0.1163	0.1163
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0181	0.0531
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0154	0.2087	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.1605	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1323	0.2924
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0092	0.0204
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0078	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0091	0.1163	0.3997
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0181	0.0699
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0045	0.0485	0.2135
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0193	0.2655	0.2655
Brugia malayi	Pre-SET motif family protein	0.021	0.291	1
Brugia malayi	nuclear receptor NHR-88	0.0193	0.2655	0.9123
Trichomonas vaginalis	set domain proteins, putative	0.024	0.3335	1
Treponema pallidum	NADH oxidase	0.0017	0.0074	0.5
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0074	0.0353
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0181	0.0787
Loa Loa (eye worm)	DR-78	0.0091	0.1163	0.2571
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.0002	0.0006
Brugia malayi	glutathione reductase	0.0048	0.0531	0.1824
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0092	0.0454
Onchocerca volvulus		0.024	0.3335	1
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0531	0.2543
Schistosoma mansoni	zinc finger protein	0.0091	0.1163	0.1163
Echinococcus granulosus	ecdysone induced protein 78C	0.0193	0.2655	0.2655
Brugia malayi	hypothetical protein	0.0052	0.0594	0.204
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0193	0.2655	0.2655
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0531	0.2543
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0409	0.1226
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0181	0.4999
Brugia malayi	photoreceptor-specific nuclear receptor	0.0193	0.2655	0.9123
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0181	0.0787
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.1605	1
Leishmania major	trypanothione reductase	0.0048	0.0531	0.227
Brugia malayi	nuclear hormone receptor family member odr-7	0.0091	0.1163	0.3997
Brugia malayi	Thioredoxin reductase	0.0048	0.0531	0.1824
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0193	0.2655	0.2655
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0092	0.0204
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0193	0.2655	0.2655
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0193	0.2655	0.5868
Echinococcus granulosus	chromobox protein 1	0.007	0.0862	0.0862
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0193	0.2655	0.2655
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0273	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0257	0.0257
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0273	0.0273
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0181	0.0787
Brugia malayi	ecdysteroid receptor	0.0193	0.2655	0.9123
Loa Loa (eye worm)	steroid hormone receptor	0.0193	0.2655	0.5868
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.004	0.0419	0.0419
Echinococcus multilocularis	tumor protein p63	0.034	0.481	0.481
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Brugia malayi	Heterochromatin protein 1	0.007	0.0862	0.2962
Schistosoma mansoni	hypothetical protein	0.0052	0.0596	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0273	0.0273
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0193	0.2655	0.2655
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.024	0.0721
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0092	0.0122
Schistosoma mansoni	nuclear hormone receptor	0.0091	0.1163	0.1163
Brugia malayi	tailless protein	0.0091	0.1163	0.3997
Entamoeba histolytica	hypothetical protein	0.0036	0.0361	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0453	0.1358
Onchocerca volvulus	Bile acid receptor homolog	0.0193	0.2655	0.796
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0193	0.2655	0.9123
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0594	0.178
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1323	0.2924
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0193	0.2655	0.5868
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1323	0.2924
Brugia malayi	conserved hypotetical protein	0.0091	0.1163	0.3997
Schistosoma mansoni	nuclear receptor	0.0091	0.1163	0.1163
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.038	0.1141
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0193	0.2655	0.5868
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0074	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0181	0.4999
Entamoeba histolytica	hypothetical protein	0.0036	0.0361	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0052	0.0594	0.2582
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0091	0.1163	0.3488
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0181	0.0531
Schistosoma mansoni	hypothetical protein	0.0036	0.0361	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0399
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0193	0.2655	0.796
Chlamydia trachomatis	dihydrofolate reductase	0.0045	0.0485	1
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0473	0.0473
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0074	0.0353
Brugia malayi	Nuclear hormone receptor E75	0.0091	0.1163	0.3997
Brugia malayi	nuclear receptor RXR	0.0102	0.1323	0.4546
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0091	0.1163	0.1163
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0102	0.1323	0.1323
Echinococcus multilocularis	ecdysone induced protein 78C	0.0193	0.2655	0.2655
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1323	0.2924
Onchocerca volvulus		0.011	0.1434	0.4299
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0102	0.1323	0.1323
Brugia malayi	nuclear receptor RXR	0.0091	0.1163	0.3997
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0074	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0091	0.1163	0.2571
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0193	0.2655	0.9123
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0181	0.0787
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0193	0.2655	0.5868
Brugia malayi	thymidylate synthase	0.011	0.1434	0.4927
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0009	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0193	0.2655	0.9123
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0091	0.1163	0.1163
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0409	0.1226
Brugia malayi	nuclear hormone receptor	0.0193	0.2655	0.9123
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0361	0.0361
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0091	0.1163	0.1163
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0045	0.0485	0.2685
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0181	0.0787
Brugia malayi	Dihydrofolate reductase	0.0045	0.0485	0.1666
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0273	0.1307
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0091	0.1163	0.1163
Schistosoma mansoni	nuclear receptor	0.0091	0.1163	0.1163
Onchocerca volvulus		0.0091	0.1163	0.3488
Onchocerca volvulus	Protein ultraspiracle homolog	0.0193	0.2655	0.796
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0074	0.0353
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0074	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1591	0.3516
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0193	0.2655	0.9123
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0154	0.2087	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0193	0.2655	0.2655
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.1427	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Brugia malayi	hypothetical protein	0.0091	0.1163	0.3997
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0091	0.1163	0.1163
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.011	0.1434	0.8883
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0193	0.2655	0.2655
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0074	0.0221
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0181	0.4999
Echinococcus multilocularis	Chromobox protein 3	0.0012	0.000000018494	0.000000018494
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0102	0.1323	0.1323
Brugia malayi	dihydrofolate reductase family protein	0.0045	0.0485	0.1666
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0092	0.0204
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0181	0.0621
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.1605	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0091	0.1163	0.3997
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0399
Brugia malayi	Nuclear hormone receptor E75	0.0091	0.1163	0.3997
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0193	0.2655	0.9123
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0193	0.2655	0.2655
Onchocerca volvulus		0.0031	0.0284	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0092	0.0137
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0078	0.0029
Echinococcus granulosus	thyroid hormone receptor alpha	0.0091	0.1163	0.1163
Schistosoma mansoni	thyroid hormone receptor	0.0193	0.2655	0.2655
Brugia malayi	hypothetical protein	0.0123	0.1632	0.5608
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0154	0.2087	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0193	0.2655	0.2655
Brugia malayi	nuclear hormone receptor	0.0091	0.1163	0.3997
Entamoeba histolytica	hypothetical protein	0.0036	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Onchocerca volvulus		0.0012	0.000000018494	0.000000055456
Brugia malayi	chromobox protein homolog 3	0.0039	0.0409	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0092	0.0443
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0193	0.2655	0.2655
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Brugia malayi	Nuclear hormone receptor-like 1	0.0102	0.1323	0.4546
Entamoeba histolytica	hypothetical protein	0.0036	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Schistosoma mansoni	chromobox protein	0.007	0.0862	0.0862
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0193	0.2655	0.9123
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0074	0.0253
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.004	0.0419	0.0927
Brugia malayi	hypothetical protein	0.0102	0.1323	0.4546
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0091	0.1163	0.2571
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0091	0.1163	0.1163
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0074	0.0353
Schistosoma mansoni	chromobox protein	0.007	0.0862	0.0862
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0193	0.2655	0.9123
Brugia malayi	MH2 domain containing protein	0.012	0.1591	0.5466
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.0002	0.0002
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0361	0.0361
Brugia malayi	Nuclear hormone receptor-like 1	0.0193	0.2655	0.9123
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1591	0.3516
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0154	0.2087	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.1605	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0273	0.0273
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0193	0.2655	0.5868
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.011	0.1434	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0193	0.2655	0.9123
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0409	0.0904
Loa Loa (eye worm)	hypothetical protein	0.005	0.056	0.1238
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.0002	0.0002
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0181	0.0621
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0102	0.1323	0.1323
Schistosoma mansoni	coup transcription factor	0.0193	0.2655	0.2655
Schistosoma mansoni	nuclear hormone receptor	0.0193	0.2655	0.2655
Loa Loa (eye worm)	nuclear hormone receptor	0.0091	0.1163	0.2571
Echinococcus multilocularis	FTZ F1 alpha	0.0193	0.2655	0.2655
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0074	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1323	0.2924
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0193	0.2655	0.2655
Onchocerca volvulus		0.005	0.056	0.168
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0092	0.0204
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0862	0.2584
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0193	0.2655	0.2655
Echinococcus granulosus	tumor protein p63	0.034	0.481	0.481
Loa Loa (eye worm)	hypothetical protein	0.003	0.0273	0.0603
Brugia malayi	SET domain containing protein	0.0013	0.0016	0.0056
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0045	0.0485	0.3022
Brugia malayi	steroid hormone receptor	0.0193	0.2655	0.9123
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0181	0.0699
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0078	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0193	0.2655	0.5868
Plasmodium falciparum	glutathione reductase	0.0017	0.0074	0.0353
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.011	0.1434	0.8799
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0453	0.1358
Brugia malayi	hypothetical protein	0.0036	0.0361	0.1242
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0193	0.2655	0.2655
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0193	0.2655	0.2655
Onchocerca volvulus		0.0091	0.1163	0.3488
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0091	0.1163	0.3488
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.004	0.0419	0.144
Brugia malayi	nuclear receptor NHR-67	0.0091	0.1163	0.3997
Schistosoma mansoni	retinoic acid receptor RXR	0.0193	0.2655	0.2655
Echinococcus granulosus	FTZ F1 alpha	0.0193	0.2655	0.2655
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0091	0.1163	0.1163
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0091	0.1163	0.1163
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0074	0.0353
Echinococcus multilocularis	thymidylate synthase	0.011	0.1434	0.1434
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.056	0.056
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0074	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0453	0.1358
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0473	0.0473
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0193	0.2655	0.9123
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.1427	0.875
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.0531	0.2985
Echinococcus granulosus	thymidylate synthase	0.011	0.1434	0.1434
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.024	0.0721
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0181	0.0787
Echinococcus multilocularis	chromobox protein 1	0.007	0.0862	0.0862
Schistosoma mansoni	thyroid hormone receptor	0.0193	0.2655	0.2655
Brugia malayi	Nuclear hormone receptor-like 1	0.0102	0.1323	0.4546
Brugia malayi	Pre-SET motif family protein	0.003	0.0273	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1163	0.2571
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0273	0.0273
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0193	0.2655	0.2655
Schistosoma mansoni	microtubule-associated protein tau	0.0695	1	1
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.0002	0.0002
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0531	0.0531
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0531	0.1173
Onchocerca volvulus		0.0024	0.0181	0.0542
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.1427	0.8837
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0078	0.0029
Onchocerca volvulus		0.0042	0.0442	0.1324
Onchocerca volvulus		0.0193	0.2655	0.796
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0154	0.2087	1
Schistosoma mansoni	dihydrofolate reductase	0.0045	0.0485	0.0485
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0862	0.1905
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0181	0.0787
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.004	0.0419	0.0419
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0442	0.0442
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0193	0.2655	0.2655
Plasmodium falciparum	glutathione reductase	0.0048	0.0531	0.2543
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0193	0.2655	0.5868
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0342	0.0755
Echinococcus granulosus	dihydrofolate reductase	0.0045	0.0485	0.0485
Brugia malayi	Steroid receptor seven-up type 2	0.0193	0.2655	0.9123
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0531	0.0531
Loa Loa (eye worm)	dihydrofolate reductase	0.0045	0.0485	0.1071
Brugia malayi	hypothetical protein	0.0102	0.1323	0.4546
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0074	0.0353
Mycobacterium ulcerans	thymidylate synthase	0.011	0.1434	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	0	Cytotoxicity against CEM cells	ChEMBL.	17125274
CC50 (functional)	= 3.7 uM	Cytotoxicity against MT4 cells	ChEMBL.	17125274
CC50 (functional)	= 3.7 uM	Cytotoxicity against MT4 cells	ChEMBL.	17125274
CC50 (functional)	= 5.4 uM	Cytotoxicity against HepG2 2.2.15 cells	ChEMBL.	17125274
CC50 (functional)	= 5.4 uM	Cytotoxicity against HepG2 2.2.15 cells	ChEMBL.	17125274
EC50 (functional)	0	Antiviral activity against HIV2 ROD in MT4 cells	ChEMBL.	17125274
EC50 (functional)	0	Antiviral activity against HIV1 3B in CEM cells	ChEMBL.	17125274
EC50 (functional)	0	Antiviral activity against HIV2 ROD in CEM cells	ChEMBL.	17125274
EC50 (functional)	= 0.3 uM	Antiviral activity against HIV1 3B in MT4 cells	ChEMBL.	17125274
EC50 (functional)	= 4 uM	Antiviral activity against HBV in HepG2 2.2.15 cells	ChEMBL.	17125274

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: CHEMBL386405
PubChem: 513214

Bibliographic References

1 literature reference was 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 374200