TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 626.866 | Formula: C37H58N2O6
H donors: 4 H acceptors: 6 LogP: 5.56 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)N[C@@H](N1CCCC1C(=O)O)C(=O)O
InChi: 1S/C37H58N2O6/c1-21(2)22-12-17-37(32(45)38-29(31(43)44)39-20-8-9-24(39)30(41)42)19-18-35(6)23(28(22)37)10-11-26-34(5)15-14-27(40)33(3,4)25(34)13-16-36(26,35)7/h22-29,40H,1,8-20H2,2-7H3,(H,38,45)(H,41,42)(H,43,44)/t22-,23+,24?,25-,26+,27-,28+,29-,34-,35+,36+,37-/m0/s1
InChiKey: YHJFPGTZJPRUSF-BYSBNRILSA-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
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0135	0.0135
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0022	0.0135	0.0135
Brugia malayi	hypothetical protein	0.0237	0.4472	0.5751
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0028	0.0248	0.055
Schistosoma mansoni	hypothetical protein	0.0048	0.0661	0.1465
Echinococcus multilocularis	transient receptor potential gamma protein	0.0097	0.1649	0.1649
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0028	0.0248	0.0248
Onchocerca volvulus		0.0209	0.3915	0.8003
Loa Loa (eye worm)	ACC-1 protein	0.0022	0.0135	0.0173
Brugia malayi	Cation transporter family protein	0.0022	0.0135	0.0173
Schistosoma mansoni	transient receptor potential channel	0.0064	0.0987	0.2188
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0209	0.3915	0.8003
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Trypanosoma cruzi	ion transport protein, putative	0.0202	0.3768	0.4509
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0028	0.0248	0.0248
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0022	0.0135	0.0173
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0164	0.3005	0.3865
Echinococcus multilocularis	carboxylesterase 5A	0.0143	0.2582	0.2582
Loa Loa (eye worm)	hypothetical protein	0.0143	0.2582	0.3321
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0022	0.0135	0.0135
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0028	0.0248	0.0248
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0478	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0028	0.0248	0.0248
Echinococcus granulosus	sodium and chloride dependent glycine	0.0028	0.0248	0.0248
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Loa Loa (eye worm)	LGC-31 protein	0.0022	0.0135	0.0173
Echinococcus multilocularis	transient receptor potential ion channel A	0.0094	0.1584	0.1584
Echinococcus granulosus	neuroligin	0.0024	0.0174	0.0174
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0022	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Onchocerca volvulus		0.0022	0.0135	0.0275
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.04	0.7775	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0022	0.0135	0.0135
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.000000045793	0.000000045793
Brugia malayi	Cation transporter family protein	0.0022	0.0135	0.0173
Leishmania major	C-8 sterol isomerase-like protein	0.04	0.7775	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0028	0.0248	0.0248
Schistosoma mansoni	calcium-activated potassium channel	0.0239	0.4509	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0277	0.0356
Brugia malayi	intermediate filament protein	0.0029	0.0277	0.0356
Echinococcus multilocularis	acetylcholinesterase	0.0143	0.2582	0.2582
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0135	0.0173
Schistosoma mansoni	sodium/chloride dependent transporter	0.0028	0.0248	0.055
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0164	0.3005	0.3865
Onchocerca volvulus		0.0024	0.0174	0.0355
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.034	0.0754
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0209	0.3915	0.8682
Brugia malayi	Pre-SET motif family protein	0.0032	0.034	0.0437
Echinococcus granulosus	transient receptor potential ion channel A	0.0094	0.1584	0.1584
Brugia malayi	Cation transporter family protein	0.0209	0.3915	0.5035
Onchocerca volvulus		0.0028	0.0248	0.0507
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0024	0.0174	0.0385
Onchocerca volvulus		0.0024	0.0174	0.0355
Brugia malayi	Carboxylesterase family protein	0.0143	0.2582	0.3321
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0022	0.0135	0.0135
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0036	0.0415	0.0415
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.4257	0.5475
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus multilocularis	serotonin transporter	0.0164	0.3005	0.3005
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0003	0.0003
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Echinococcus multilocularis	para nitrobenzyl esterase	0.0024	0.0174	0.0174
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0248	0.055
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0024	0.0174	0.0174
Echinococcus multilocularis	neuroligin	0.0024	0.0174	0.0174
Echinococcus granulosus	intermediate filament protein	0.0029	0.0277	0.0277
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Loa Loa (eye worm)	ACC-1 protein	0.0022	0.0135	0.0173
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.04	0.7775	1
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0661	0.1465
Trypanosoma cruzi	ion transport protein, putative	0.0202	0.3768	0.4509
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0248	0.055
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0028	0.0248	0.0319
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0022	0.0135	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0239	0.4509	0.5799
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.000000045793	0.000000045793
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Brugia malayi	excitatory GABA receptor EXP-1A	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0022	0.0135	0.0275
Echinococcus multilocularis	acetylcholinesterase	0.0143	0.2582	0.2582
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Schistosoma mansoni	transient receptor potential channel	0.0097	0.1649	0.3658
Brugia malayi	Transient-receptor-potential like protein	0.0036	0.0415	0.0534
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0028	0.0248	0.055
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0028	0.0248	0.0248
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0248	0.055
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0028	0.0248	0.0248
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0135	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0205	0.382	0.4912
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0478	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0028	0.0248	0.055
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0277	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0266	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0209	0.3915	0.5035
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0478	0.0645
Echinococcus multilocularis	lamin	0.0029	0.0277	0.0277
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0002	0.0002
Echinococcus granulosus	short transient receptor potential channel 6	0.0064	0.0987	0.0987
Echinococcus granulosus	TRP transient receptor potential channel	0.0036	0.0415	0.0415
Loa Loa (eye worm)	serotonin transporter b	0.0164	0.3005	0.3865
Echinococcus multilocularis	short transient receptor potential channel 6	0.0064	0.0984	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0918	0.1181
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Schistosoma mansoni	lamin	0.0029	0.0277	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3005	0.3865
Echinococcus granulosus	acetylcholinesterase	0.0143	0.2582	0.2582
Echinococcus granulosus	small conductance calcium activated potassium	0.0239	0.4509	0.4509
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Brugia malayi	hypothetical protein	0.0024	0.0174	0.0223
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0478	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0028	0.0248	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0022	0.0135	0.0135
Loa Loa (eye worm)	carboxylesterase	0.0143	0.2582	0.3321
Brugia malayi	Protein kinase domain containing protein	0.0016	0.000000045793	0.000000058894
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0135	0.0299
Echinococcus granulosus	lamin dm0	0.0029	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Onchocerca volvulus		0.0029	0.0277	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0478	0.0615
Treponema pallidum	sodium- and chloride- dependent transporter	0.0164	0.3005	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0002	0.0002
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0478	0.5
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0022	0.0135	0.0173
Echinococcus multilocularis	glycine receptor subunit beta	0.0022	0.0135	0.0135
Echinococcus granulosus	Ankyrin	0.0016	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0016	0.0003	0.0006
Brugia malayi	hypothetical protein	0.0028	0.0248	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Loa Loa (eye worm)	carboxylesterase	0.0024	0.0174	0.0223
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0248	0.0319
Loa Loa (eye worm)	carboxylesterase	0.0024	0.0174	0.0223
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0022	0.0135	0.0135
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0022	0.0135	0.0173
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.034	0.034
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0661	0.085
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0028	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0277	0.0614
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.034	0.034
Echinococcus granulosus	glycine receptor subunit beta	0.0022	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.034	0.0754
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0022	0.0135	0.0135
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0022	0.0135	0.0135
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0248	0.055
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0024	0.0174	0.0174
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0248	0.055
Brugia malayi	Death domain containing protein	0.0016	0.000000045793	0.000000058894
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0478	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0022	0.0135	0.0135
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0022	0.0135	0.0275
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0022	0.0135	0.0135
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0024	0.0174	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0209	0.3915	0.5035
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0248	0.0319
Schistosoma mansoni	transient receptor potential channel 4	0.0097	0.1649	0.3658
Echinococcus granulosus	nuclear factor of activated T cells 5	0.008	0.1302	0.1302
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Loa Loa (eye worm)	norepinephrine transporter	0.0164	0.3005	0.3865
Schistosoma mansoni	transient receptor potential channel	0.0064	0.0984	0.2182
Onchocerca volvulus	Putative nachr subunit	0.0022	0.0135	0.0275
Onchocerca volvulus		0.0048	0.0661	0.1351
Echinococcus granulosus	sodium and chloride dependent glycine	0.0028	0.0248	0.0248
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0024	0.0174	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0415	0.0534
Onchocerca volvulus		0.0024	0.0174	0.0355
Schistosoma mansoni	ap endonuclease	0.0039	0.0478	0.106
Loa Loa (eye worm)	hypothetical protein	0.0237	0.4472	0.5751
Schistosoma mansoni	hypothetical protein	0.0239	0.4509	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0478	0.0478
Onchocerca volvulus		0.0028	0.0248	0.0507
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0164	0.3005	0.6664
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.034	0.034
Brugia malayi	Pre-SET motif family protein	0.0226	0.4257	0.5475
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Onchocerca volvulus		0.0029	0.0277	0.0566
Schistosoma mansoni	gliotactin	0.0024	0.0174	0.0385
Brugia malayi	Carboxylesterase family protein	0.0024	0.0174	0.0223
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3005	0.3865
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0022	0.0135	0.0135
Brugia malayi	Carboxylesterase family protein	0.0143	0.2582	0.3321
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0022	0.0135	0.0173
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.051	1	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0022	0.0135	0.0135
Schistosoma mansoni	sodium/chloride dependent transporter	0.0028	0.0248	0.055
Echinococcus granulosus	acetylcholinesterase	0.0143	0.2582	0.2582
Echinococcus multilocularis	lamin dm0	0.0029	0.0277	0.0277
Brugia malayi	Carboxylesterase family protein	0.0024	0.0174	0.0223
Schistosoma mansoni	BC026374 protein (S09 family)	0.0024	0.0174	0.0385
Echinococcus granulosus	lamin	0.0029	0.0277	0.0277
Echinococcus multilocularis	short transient receptor potential channel 6	0.0064	0.0987	0.0987
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0022	0.0135	0.0173
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0028	0.0248	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0135	0.0173
Brugia malayi	Carboxylesterase family protein	0.0024	0.0174	0.0223
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0022	0.0135	0.0173
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Onchocerca volvulus		0.0032	0.034	0.0695
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0277	0.0356
Onchocerca volvulus		0.0209	0.3915	0.8003
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.034	0.0754
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0024	0.0174	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.034	0.0754
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Onchocerca volvulus		0.0024	0.0174	0.0355
Schistosoma mansoni	lamin	0.0029	0.0277	0.0614
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0209	0.3915	0.8682
Echinococcus multilocularis	Ankyrin	0.0016	0.0003	0.0003
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0028	0.0248	0.0248
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0478	0.0478
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0022	0.0135	0.0135
Trichomonas vaginalis	set domain proteins, putative	0.0257	0.4889	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3005	0.3865
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus granulosus	nAChR subunit	0.0022	0.0135	0.0135
Schistosoma mansoni	ap endonuclease	0.0039	0.0478	0.106
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0022	0.0135	0.0299
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0174	0.0223
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0135	0.0173
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0478	0.0615
Loa Loa (eye worm)	hypothetical protein	0.012	0.2103	0.2705
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0022	0.0135	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Brugia malayi	Carboxylesterase family protein	0.0024	0.0174	0.0223
Trypanosoma brucei	C-8 sterol isomerase, putative	0.04	0.7775	1
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3608	0.464
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.000000045793	0.00000010155
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Schistosoma mansoni	sodium/chloride dependent transporter	0.0164	0.3005	0.6664
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0143	0.2582	0.5726
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Onchocerca volvulus		0.0164	0.3005	0.6143
Echinococcus multilocularis	small conductance calcium activated potassium	0.0239	0.4509	0.4509
Leishmania major	ion transport protein-like protein	0.0202	0.3768	0.4509
Echinococcus granulosus	transient receptor potential gamma protein	0.0097	0.1649	0.1649
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0022	0.0135	0.0173
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0277	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0032	0.034	0.0437
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0478	0.0645
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0028	0.0248	0.0319
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0478	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1649	0.2121
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0478	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0024	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.04	0.7775	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0143	0.2582	0.3321
Schistosoma mansoni	acetylcholinesterase	0.0024	0.0174	0.0385
Echinococcus granulosus	BC026374 protein S09 family	0.0024	0.0174	0.0174
Echinococcus granulosus	short transient receptor potential channel 6	0.0064	0.0984	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.008	0.1302	0.1302
Schistosoma mansoni	nAChR subunit	0.0022	0.0135	0.0299
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0022	0.0135	0.0173
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0022	0.0135	0.0135
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.4472	0.4472
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0022	0.0135	0.0173
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0024	0.0174	0.0385
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0022	0.0135	0.0173
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0248	0.0319
Brugia malayi	Uncoordinated protein 44	0.0016	0.000000045793	0.000000058894
Echinococcus multilocularis	nAChR subunit	0.0022	0.0135	0.0135
Toxoplasma gondii	exonuclease III APE	0.0039	0.0478	1
Onchocerca volvulus		0.0258	0.4892	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0135	0.0173
Echinococcus granulosus	serotonin transporter	0.0164	0.3005	0.3005
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0349	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0248	0.0319
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.4472	0.4472
Echinococcus granulosus	carboxylesterase 5A	0.0143	0.2582	0.2582
Loa Loa (eye worm)	hypothetical protein	0.0143	0.2582	0.3321
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0024	0.0174	0.0174
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0022	0.0135	0.0135
Schistosoma mansoni	calcium-activated potassium channel	0.0227	0.4274	0.9478
Plasmodium vivax	SET domain protein, putative	0.0032	0.034	0.4005
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1855	0.2386
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0022	0.0135	0.0135
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0248	0.055
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.034	0.4005
Echinococcus multilocularis	musashi	0.0029	0.0277	0.0277
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0028	0.0248	0.0319

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 13.1 ug ml-1	In vitro cytotoxicity (antitumor activity) against human melanoma (MEL-2) cell lines	ChEMBL.	10328313
ED50 (functional)	= 13.1 ug ml-1	In vitro cytotoxicity (antitumor activity) against human melanoma (MEL-2) cell lines	ChEMBL.	10328313
ED50 (functional)	> 20 ug ml-1	In vitro cytotoxicity (antitumor activity) against human epidermoid carcinoma of mouth cell line (KB)	ChEMBL.	10328313
ED50 (functional)	> 20 ug ml-1	In vitro cytotoxicity (antitumor activity) against human epidermoid carcinoma of mouth cell line (KB)	ChEMBL.	10328313
S (ADMET)	= 20	Water solubility of the compound	ChEMBL.	10328313

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 21859