TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 641.924 | Formula: C28H47N3O8SSi2
H donors: 1 H acceptors: 4 LogP: 4.05 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CC#CC1=C(N)C2(OS1(=O)=O)C(CO[Si](C(C)(C)C)(C)C)OC(C2O[Si](C(C)(C)C)(C)C)n1cc(C)c(=O)n(c1=O)C
InChi: 1S/C28H47N3O8SSi2/c1-14-15-19-21(29)28(39-40(19,34)35)20(17-36-41(10,11)26(3,4)5)37-24(22(28)38-42(12,13)27(6,7)8)31-16-18(2)23(32)30(9)25(31)33/h16,20,22,24H,17,29H2,1-13H3
InChiKey: GBCIJBJNVOHBEI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Brugia malayi	Cation transporter family protein	0.0026	0.0354	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Echinococcus multilocularis	musashi	0.0028	0.0399	0.0399
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0027	0.0366	0.0366
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0024	0.031	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.021	0.0309
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0024	0.031	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Echinococcus granulosus	nAChR subunit	0.0026	0.0354	0.0354
Onchocerca volvulus		0.0026	0.0354	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0217	0.4379	0.6462
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0014	0.0102	0.0186
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0059	0.0108
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0026	0.0354	0.0649
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0026	0.0354	0.0354
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Mycobacterium tuberculosis	Probable aminotransferase	0.0024	0.031	0.0191
Plasmodium vivax	hypothetical protein, conserved	0.0019	0.021	0.2558
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0027	0.0366	0.1667
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0012	0.0059	0.0059
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0024	0.031	0.0191
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.2194	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Echinococcus granulosus	intermediate filament protein	0.0028	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0082	0.012
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0236	0.4775	0.4775
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Mycobacterium ulcerans	hypothetical protein	0.0024	0.031	0.0191
Mycobacterium ulcerans	6-phosphofructokinase	0.0113	0.2194	0.3779
Echinococcus granulosus	ornithine aminotransferase	0.0024	0.031	0.031
Onchocerca volvulus		0.0026	0.0354	0.0596
Toxoplasma gondii	hypothetical protein	0.0019	0.021	0.4546
Schistosoma mansoni	hypothetical protein	0.01	0.1913	0.8717
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	acetylcholine receptor protein	0.0012	0.0059	0.0087
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0026	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0012	0.0059	0.0059
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0462	0.2107
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0082	0.012
Loa Loa (eye worm)	phosphofructokinase	0.0113	0.2194	0.3239
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0026	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0024	0.031	0.0191
Loa Loa (eye worm)	ACC-1 protein	0.0026	0.0354	0.0523
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0014	0.0102	0.0186
Brugia malayi	phosphofructokinase	0.0113	0.2194	0.4018
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0092	0.0092
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0026	0.0354	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0024	0.031	0.0191
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0416	0.168
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0026	0.0354	0.0354
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0462	0.2107
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0026	0.0354	0.0523
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0024	0.031	0.0191
Echinococcus granulosus	ribonuclease H1	0.0027	0.0368	0.0368
Brugia malayi	RNase H family protein	0.0027	0.0368	0.0674
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0462	0.0462
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.021	0.0309
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0027	0.0366	0.067
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0026	0.0354	0.0649
Entamoeba histolytica	hypothetical protein	0.0014	0.0102	0.0209
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0368	0.1678
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0031	0.0452	0.1847
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0024	0.031	0.0191
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0092	0.0092
Brugia malayi	RNase H family protein	0.0027	0.0368	0.0674
Echinococcus multilocularis	ornithine aminotransferase	0.0024	0.031	0.031
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0399	0.0589
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0113	0.2194	1
Echinococcus multilocularis	neuropeptide s receptor	0.0484	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0462	0.2107
Onchocerca volvulus	Ribonuclease H1 homolog	0.0027	0.0368	0.0624
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0275	0.0441
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0177	0.0805
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0026	0.0354	0.0354
Echinococcus multilocularis	6 phosphofructokinase	0.0113	0.2194	0.2194
Loa Loa (eye worm)	hypothetical protein	0.0331	0.6776	1
Onchocerca volvulus		0.0028	0.0399	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Toxoplasma gondii	6-phosphofructokinase	0.0031	0.0452	0.9769
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Echinococcus multilocularis	neuropeptide receptor A26	0.0484	1	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0452	0.9685
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.4947	0.7301
Echinococcus multilocularis	lamin	0.0028	0.0399	0.0399
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0012	0.0059	0.0059
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0462	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0026	0.0354	0.0354
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Loa Loa (eye worm)	GABA receptor subunit	0.0014	0.0102	0.015
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0027	0.0366	0.1445
Echinococcus granulosus	lamin	0.0028	0.0399	0.0399
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus granulosus	6 phosphofructokinase	0.0113	0.2194	0.2194
Brugia malayi	hypothetical protein	0.0127	0.2481	0.4543
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0026	0.0354	0.0354
Onchocerca volvulus		0.0031	0.0462	0.0814
Brugia malayi	hypothetical protein	0.0012	0.0059	0.0108
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0416	0.168
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0462	0.0682
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0399	0.1818
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0026	0.0354	0.1614
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0012	0.0059	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.2194	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus multilocularis	nAChR subunit	0.0026	0.0354	0.0354
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0012	0.0059	0.0059
Brugia malayi	hypothetical protein	0.0012	0.0059	0.0108
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0368	0.1678
Loa Loa (eye worm)	LGC-31 protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.2194	0.3239
Leishmania major	ribonuclease H1, putative	0.0027	0.0368	0.1456
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Echinococcus granulosus	neuropeptide receptor A26	0.0484	1	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0113	0.2194	0.3779
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0012	0.0059	0.0087
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus granulosus	Aminotransferase class III	0.0024	0.031	0.031
Plasmodium falciparum	ornithine aminotransferase	0.0024	0.031	0.6874
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0026	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Schistosoma mansoni	phosphoglucomutase	0.0027	0.0368	0.1678
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0275	0.0275
Trypanosoma brucei	RNA helicase, putative	0.01	0.1913	0.8683
Onchocerca volvulus	Putative nachr subunit	0.0026	0.0354	0.0596
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0026	0.0354	0.0523
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus granulosus	glycine receptor subunit beta	0.0026	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0059	0.0108
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0268	0.5461	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0462	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus multilocularis	ornithine aminotransferase	0.0024	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0024	0.031	0.0505
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0014	0.0102	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Brugia malayi	Cation transporter family protein	0.0026	0.0354	0.0649
Plasmodium vivax	ornithine aminotransferase, putative	0.0024	0.031	0.5518
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0026	0.0354	0.1614
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0452	0.9685
Onchocerca volvulus		0.0028	0.0399	0.0686
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0014	0.0102	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0228	0.4619	0.6817
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0031	0.0452	0.0797
Leishmania major	ATP-dependent phosphofructokinase	0.0113	0.2194	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.2194	0.4315
Echinococcus multilocularis	Aminotransferase class III	0.0024	0.031	0.031
Brugia malayi	RNase H family protein	0.0027	0.0368	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0024	0.031	0.0191
Schistosoma mansoni	neurotransmitter gated ion channel	0.0014	0.0102	0.0463
Schistosoma mansoni	nAChR subunit	0.0012	0.0059	0.027
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0452	1
Brugia malayi	Cation transporter family protein	0.0026	0.0354	0.0649
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0026	0.0354	0.0649
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0027	0.0366	0.1667
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.021	0.0309
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.2194	1
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0026	0.0354	0.0523
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0236	0.4775	0.4775
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0026	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0092	0.0136
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.2194	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0026	0.0354	0.0649
Onchocerca volvulus		0.0026	0.0354	0.0596
Plasmodium vivax	SET domain protein, putative	0.0031	0.0462	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0026	0.0354	0.0649
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0026	0.0354	0.0649
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0029	0.0416	0.168
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0366	0.1445
Trypanosoma brucei	ribonuclease H1	0.0027	0.0368	0.1456
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0024	0.031	0.0191
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0026	0.0354	0.0649
Brugia malayi	hypothetical protein	0.0012	0.0059	0.0108
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0026	0.0354	0.0649
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0399	0.0589
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0027	0.0366	0.0366
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Trichomonas vaginalis	set domain proteins, putative	0.0247	0.501	1
Echinococcus granulosus	nAChR subunit	0.0014	0.0102	0.0102
Giardia lamblia	Ribonuclease H	0.0027	0.0368	0.8153
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0026	0.0354	0.1614
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus multilocularis	ribonuclease H1	0.0027	0.0368	0.0368
Brugia malayi	6-phosphofructokinase	0.0113	0.2194	0.4018
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0026	0.0354	0.0354
Echinococcus multilocularis	nAChR subunit	0.0014	0.0102	0.0102
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0124	0.0183
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0452	0.0797
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0275	0.0441
Toxoplasma gondii	phosphofructokinase PFKII	0.0031	0.0452	0.9769
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0024	0.031	0.1415
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Schistosoma mansoni	acetylcholine receptor-related	0.0012	0.0059	0.027
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0452	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0012	0.0059	0.0108
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0027	0.0368	1
Onchocerca volvulus		0.0247	0.501	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0027	0.0368	0.1456
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0031	0.0452	0.0457
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0462	0.0462
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.4947	0.9059
Trypanosoma cruzi	ribonuclease H1, putative	0.0027	0.0368	0.1456
Trypanosoma brucei	unspecified product	0.0029	0.0416	0.168
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.2194	0.4315
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0399	0.0589
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.000000000088127	0.0000000019064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0275	0.0275
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Plasmodium falciparum	GAF domain-related protein, putative	0.0019	0.021	0.4653
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.2194	0.4315
Brugia malayi	6-phosphofructokinase	0.0113	0.2194	0.4018
Brugia malayi	Pre-SET motif family protein	0.0217	0.4379	0.8018
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	Pre-SET motif family protein	0.0031	0.0462	0.0847
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0026	0.0354	0.0523
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0438	0.0438
Schistosoma mansoni	nAChR subunit	0.0012	0.0059	0.027
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Toxoplasma gondii	ribonuclease HI protein	0.0027	0.0368	0.7965
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0124	0.0227
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.012	0.2589
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0026	0.0354	0.0354
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0026	0.0354	0.0354
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0026	0.0354	0.0354
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0026	0.0354	0.0649
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0452	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0026	0.0354	0.0649
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0024	0.031	0.0505
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0026	0.0354	0.0649
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Onchocerca volvulus		0.0026	0.0354	0.0596
Toxoplasma gondii	hypothetical protein	0.0019	0.021	0.4546
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0388	0.0573
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0366	0.1445
Schistosoma mansoni	nAChR subunit	0.0026	0.0354	0.1614
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0268	0.5461	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0059	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0209	0.4216	0.6222
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0026	0.0354	0.0354
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0366	0.0624
Echinococcus multilocularis	glycine receptor subunit beta	0.0026	0.0354	0.0354
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.2194	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0012	0.0059	0.027
Schistosoma mansoni	neurotransmitter gated ion channel	0.0012	0.0059	0.027
Trichomonas vaginalis	ribonuclease H1, putative	0.0027	0.0368	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Loa Loa (eye worm)	ACC-1 protein	0.0026	0.0354	0.0523
Toxoplasma gondii	GAF domain-containing protein	0.0019	0.021	0.4546
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0026	0.0354	0.0354
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0027	0.0366	0.1445
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0024	0.031	0.0505
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0026	0.0354	0.0523
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.021	0.0309
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0024	0.031	0.0512
Toxoplasma gondii	hypothetical protein	0.0019	0.021	0.4546
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0366	0.0624
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0026	0.0354	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Echinococcus granulosus	lamin dm0	0.0028	0.0399	0.0399
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0026	0.0354	0.1614
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0012	0.0059	0.0059
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0026	0.0354	0.0354
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0014	0.0102	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Brugia malayi	intermediate filament protein	0.0028	0.0399	0.0731
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0024	0.031	0.0505
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.2194	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0113	0.2194	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0399	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0236	0.4775	0.8744
Brugia malayi	hypothetical protein	0.0012	0.0059	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Onchocerca volvulus		0.0014	0.0102	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0102	0.015
Echinococcus multilocularis	glycine receptor subunit beta	0.0026	0.0354	0.0354
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0366	0.0624
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0012	0.0059	0.0108
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0024	0.031	0.6715
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0452	1
Onchocerca volvulus		0.0014	0.0102	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0354	0.0523
Trypanosoma brucei	ingi protein (ORF1)	0.0029	0.0416	0.168
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.2194	0.3239
Schistosoma mansoni	lamin	0.0028	0.0399	0.1818
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0366	0.054
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0366	0.1445
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0031	0.0452	0.9769
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0275	0.0406
Brugia malayi	hypothetical protein	0.0012	0.0059	0.0108
Brugia malayi	excitatory GABA receptor EXP-1A	0.0026	0.0354	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0018	0.018	0.0266
Onchocerca volvulus		0.0026	0.0354	0.0596
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0012	0.0059	0.027
Schistosoma mansoni	lamin	0.0028	0.0399	0.1818
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0087
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0026	0.0354	0.0523
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0462	0.2107
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0024	0.031	0.0191
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0275	0.0504
Echinococcus multilocularis	lamin dm0	0.0028	0.0399	0.0399
Mycobacterium ulcerans	L-lysine aminotransferase	0.0268	0.5461	1
Onchocerca volvulus		0.0026	0.0354	0.0596
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0014	0.0102	0.0463
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.2194	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0218	0.4834
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.2194	0.4315
Echinococcus granulosus	glycine receptor subunit beta	0.0026	0.0354	0.0354
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0031	0.0452	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 3.3 uM	Cytotoxic concentration required to inhibit MT-4 cell proliferation by 50%	ChEMBL.	12190315
CC50 (functional)	= 5 uM	Cytostatic concentration required to inhibit CEM cell proliferation by 50%	ChEMBL.	12190315
EC50 (functional)	> 2 uM	Effective concentration required to inhibit HIV-1 induced cytopathicity in MT-4 cell culture by 50%.	ChEMBL.	12190315
EC50 (functional)	> 2 uM	Effective concentration required to inhibit HIV-2 induced cytopathicity in MT-4 cell culture by 50%.	ChEMBL.	12190315
EC50 (functional)	> 2 uM	Effective concentration required to inhibit HIV-1 induced cytopathicity in CEM cell culture by 50%.	ChEMBL.	12190315
EC50 (functional)	> 2 uM	Effective concentration required to inhibit HIV-2 induced cytopathicity in CEM cell culture by 50%.	ChEMBL.	12190315

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: 311776

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 222360