TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 758.917 | Formula: C41H60F6N2O4
H donors: 0 H acceptors: 4 LogP: 15.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 2
SMILES: C1CCCCCCc2ccc[n+](c2)CCCCCC/C=C/CCCCCCc2c[n+](CCCCCC1)ccc2.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
InChi: 1S/C37H60N2.2C2HF3O2/c1-2-6-10-14-18-22-30-38-32-25-29-37(35-38)27-21-17-13-9-5-3-7-11-15-19-23-31-39-33-24-28-36(34-39)26-20-16-12-8-4-1;2*3-2(4,5)1(6)7/h1-2,24-25,28-29,32-35H,3-23,26-27,30-31H2;2*(H,6,7)/q+2;;/p-2/b2-1+;;
InChiKey: CPTASHNRUVURMP-SEPHDYHBSA-L

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
Schistosoma mansoni	hypothetical protein	0.0165	0.1337	0.1492
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0069	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Echinococcus multilocularis	sphingosine kinase 1	0.0659	0.5907	0.659
Plasmodium vivax	diacylglycerol kinase, putative	0.0026	0.0046	0.0338
Trichomonas vaginalis	bmru protein, putative	0.0026	0.0046	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0295	0.2541	0.2541
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0245	0.0245
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	0.1363
Plasmodium vivax	amine transporter, putative	0.0168	0.1363	1
Echinococcus multilocularis	histone deacetylase	0.0051	0.0281	0.0313
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0105	0.0117
Echinococcus granulosus	histone deacetylase	0.0051	0.0281	0.0313
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.099	0.8963	0.8963
Leishmania major	hypothetical protein, conserved	0.0026	0.0046	0.0046
Echinococcus multilocularis	synaptic vesicular amine transporter	0.0558	0.4968	0.5542
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0011	0.0012
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0011	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0026	0.0046	0.0046
Trichomonas vaginalis	bmru protein, putative	0.0026	0.0046	0.0202
Entamoeba histolytica	hypothetical protein, conserved	0.0659	0.5907	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0026	0.0046	0.0202
Loa Loa (eye worm)	serotonin transporter b	0.099	0.8963	0.8963
Echinococcus multilocularis	serotonin transporter	0.099	0.8963	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0245	0.0273
Echinococcus granulosus	histone deacetylase 6	0.0051	0.0281	0.0313
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.0751	0.0751
Echinococcus multilocularis	voltage gated potassium channel	0.0032	0.0105	0.0117
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0019	0.0086
Plasmodium falciparum	diacylglycerol kinase, putative	0.0026	0.0046	0.0338
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0168	0.1363	0.152
Trypanosoma brucei	Sphingosine kinase	0.0026	0.0046	0.0046
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0069	0.0504
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1187	0.1187
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0022	0.0011	0.0012
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0245	0.0273
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.099	0.8963	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0026	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0959	0.0959
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0026	0.0046	0.0046
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0026	0.0046	0.0051
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0	0.5
Leishmania major	histone deacetylase, putative	0.0051	0.0281	0.0281
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0026	0.0046	0.0046
Echinococcus granulosus	histone deacetylase 6	0.0051	0.0281	0.0313
Plasmodium vivax	diacylglycerol kinase, putative	0.0026	0.0046	0.0338
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.099	0.8963	0.8963
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.1187	0.1187
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0105	0.0117
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0026	0.0046	0.0051
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0011	0.0012
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0168	0.1363	0.152
Echinococcus granulosus	histone deacetylase 6	0.0051	0.0281	0.0313
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0168	0.1363	0.152
Echinococcus granulosus	voltage gated potassium channel	0.0032	0.0105	0.0117
Brugia malayi	Histone deacetylase family protein	0.0051	0.0281	0.0281
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0022	0.0011	0.0011
Leishmania major	C-8 sterol isomerase-like protein	0.1102	1	1
Plasmodium falciparum	histone deacetylase, putative	0.0051	0.0281	0.2059
Plasmodium falciparum	transporter, putative	0.0168	0.1363	1
Trypanosoma brucei	histone deacetylase, putative	0.0051	0.0281	0.0281
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0011	0.0012
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0026	0.0046	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0295	0.2541	0.2541
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0168	0.1363	0.152
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0103	0.0764	0.3357
Trypanosoma cruzi	hypothetical protein, conserved	0.0026	0.0046	0.0046
Echinococcus multilocularis	geminin	0.0165	0.1337	0.1492
Brugia malayi	diacylglycerol kinase	0.0026	0.0046	0.0046
Toxoplasma gondii	hypothetical protein	0.0168	0.1363	1
Echinococcus multilocularis	serotonin receptor	0.0124	0.0959	0.107
Echinococcus granulosus	synaptic vesicular amine transporter	0.0558	0.4968	0.5542
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.1187	0.1187
Schistosoma mansoni	glutaminase	0.0267	0.2275	0.2538
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	1
Plasmodium vivax	histone deacetylase 2, putative	0.0051	0.0281	0.2059
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0168	0.1363	0.152
Mycobacterium ulcerans	hypothetical protein	0.0659	0.5907	1
Leishmania major	diacylglycerol kinase, putative	0.0026	0.0046	0.0046
Entamoeba histolytica	diacylglycerol kinase, putative	0.0026	0.0046	0.0078
Echinococcus multilocularis	nmda type glutamate receptor	0.0026	0.0045	0.005
Schistosoma mansoni	hypothetical protein	0.0047	0.0245	0.0273
Toxoplasma gondii	histone deacetylase HDAC1	0.0051	0.0281	0.2059
Onchocerca volvulus		0.099	0.8963	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0168	0.1363	0.152
Trypanosoma brucei	histone deacetylase 4	0.0051	0.0281	0.0281
Schistosoma mansoni	histone deacetylase hda2	0.0051	0.0281	0.0313
Treponema pallidum	sodium- and chloride- dependent transporter	0.099	0.8963	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0032	0.0105	0.0117
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0111	0.0831	0.0831
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0245	0.0245
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.1187	0.1187
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0111	0.0831	0.0927
Entamoeba histolytica	diacylglycerol kinase, putative	0.0026	0.0046	0.0078
Loa Loa (eye worm)	glutaminase	0.0267	0.2275	0.2275
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0046	0.0046
Schistosoma mansoni	diacylglycerol kinase theta	0.0026	0.0046	0.0051
Loa Loa (eye worm)	glutaminase 2	0.0267	0.2275	0.2275
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0032	0.0105	0.0105
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.0281	0.0313
Schistosoma mansoni	voltage-gated potassium channel	0.0121	0.0925	0.1032
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0245	0.0245
Schistosoma mansoni	hypothetical protein	0.0165	0.1337	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0295	0.2541	0.2541
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	0.1363
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0011	0.0012
Trypanosoma cruzi	Sphingosine kinase	0.0026	0.0046	0.0046
Trichomonas vaginalis	sphingosine kinase, putative	0.0026	0.0046	0.0202
Loa Loa (eye worm)	histone deacetylase	0.0051	0.0281	0.0281
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0124	0.0959	0.107
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0026	0.0046	0.0202
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0069	0.0069
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0026	0.0046	0.0046
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	0.0558	0.4968	0.4968
Leishmania major	diacylglycerol kinase-like protein	0.0026	0.0046	0.0046
Loa Loa (eye worm)	norepinephrine transporter	0.099	0.8963	0.8963
Brugia malayi	glutaminase DH11.1	0.0267	0.2275	0.2275
Echinococcus multilocularis	serotonin receptor	0.0124	0.0959	0.107
Toxoplasma gondii	hypothetical protein	0.0168	0.1363	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0168	0.1363	0.152
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0069	0.0069
Echinococcus granulosus	Diacylglycerol kinase theta	0.0026	0.0046	0.0051
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.1102	1	1
Echinococcus granulosus	geminin	0.0165	0.1337	0.1492
Schistosoma mansoni	importin beta-1	0.0028	0.0069	0.0077
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0168	0.1363	0.152
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0011	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0281	0.0281
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0026	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0245	0.0245
Echinococcus granulosus	nmda type glutamate receptor	0.0026	0.0045	0.005
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0026	0.0046	0.0338
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0022	0.0011	0.0012
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Schistosoma mansoni	sodium/chloride dependent transporter	0.0168	0.1363	0.152
Schistosoma mansoni	hypothetical protein	0.0026	0.0046	0.0051
Echinococcus granulosus	sodium and chloride dependent glycine	0.0168	0.1363	0.152
Trypanosoma brucei	hypothetical protein, conserved	0.0026	0.0046	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0046	0.0202
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0111	0.0831	0.0831
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0019	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0959	0.0959
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0011	0.0012
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0026	0.0046	0.0051
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.099	0.8963	0.8963
Echinococcus granulosus	ceramide kinase	0.0026	0.0046	0.0051
Brugia malayi	Abnormal catecholamine distribution protein 1	0.0558	0.4968	0.4968
Plasmodium falciparum	importin beta, putative	0.0028	0.0069	0.0504
Echinococcus multilocularis	ceramide kinase	0.0026	0.0046	0.0051
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0022	0.0011	0.0012
Schistosoma mansoni	hypothetical protein	0.03	0.2586	0.2885
Schistosoma mansoni	hypothetical protein	0.0047	0.0245	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0563	0.5017	0.5017
Leishmania major	histone deacetylase, putative	0.0051	0.0281	0.0281
Trypanosoma brucei	histone deacetylase 3	0.0051	0.0281	0.0281
Brugia malayi	Ceramide kinase	0.0026	0.0046	0.0046
Brugia malayi	hypothetical protein	0.0026	0.0046	0.0046
Leishmania major	sphingosine kinase A, B, putative	0.0026	0.0046	0.0046
Echinococcus multilocularis	snurportin 1	0.03	0.2586	0.2885
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	0.2586	0.2586
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0026	0.0046	0.0051
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	0.1363
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	0.1363
Schistosoma mansoni	voltage-gated potassium channel	0.0121	0.0925	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0105	0.0105
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0069	0.0077
Trypanosoma brucei	diacylglycerol kinase, putative	0.0026	0.0046	0.0046
Plasmodium falciparum	amino acid transporter, putative	0.0168	0.1363	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0011	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.099	0.8963	0.8963
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0026	0.0046	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1363	0.1363
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0026	0.0046	0.0046
Mycobacterium ulcerans	glutaminase	0.0267	0.2275	0.3804
Plasmodium falciparum	diacylglycerol kinase, putative	0.0026	0.0046	0.0338
Mycobacterium tuberculosis	Conserved protein	0.0659	0.5907	1
Brugia malayi	Diacylglycerol kinase protein 2	0.0026	0.0046	0.0046
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0069	0.0504
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0168	0.1363	0.5
Echinococcus granulosus	histone deacetylase 7	0.0051	0.0281	0.0313
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0026	0.0046	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0696	0.0696
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0026	0.0046	0.0202
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0168	0.1363	0.1363
Schistosoma mansoni	histone deacetylase 4 5	0.0051	0.0281	0.0313
Echinococcus granulosus	biogenic amine 5HT receptor	0.0124	0.0959	0.107
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	1
Schistosoma mansoni	vesicular amine transporter	0.0558	0.4968	0.5542
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0245	0.0273
Trichomonas vaginalis	sphingosine kinase, putative	0.0026	0.0046	0.0202
Entamoeba histolytica	diacylglycerol kinase, putative	0.0026	0.0046	0.0078
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0011	0.0048
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	0.1363
Onchocerca volvulus		0.0168	0.1363	0.1476
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0103	0.0764	0.3357
Entamoeba histolytica	diacylglycerol kinase, putative	0.0026	0.0046	0.0078
Entamoeba histolytica	hypothetical protein	0.0023	0.0019	0.0033
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0245	0.0273
Loa Loa (eye worm)	solute carrier family 6 member 4	0.099	0.8963	0.8963
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0022	0.0011	0.0011
Brugia malayi	Eye-specific diacylglycerol kinase	0.0026	0.0046	0.0046
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.0281	0.0313
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0168	0.1363	0.152
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0019	0.0019
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1102	1	1
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0026	0.0046	0.0051
Brugia malayi	Histone deacetylase family protein	0.0051	0.0281	0.0281
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0011	0.0048
Schistosoma mansoni	sodium/chloride dependent transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	ceramide kinase	0.0026	0.0046	0.0046
Toxoplasma gondii	diacylglycerol kinase, putative	0.0026	0.0046	0.0338
Plasmodium vivax	histone deacetylase, putative	0.0051	0.0281	0.2059
Schistosoma mansoni	hypothetical protein	0.0047	0.0245	0.0273
Echinococcus granulosus	snurportin 1	0.03	0.2586	0.2885
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0281	0.0281
Echinococcus granulosus	serotonin transporter	0.099	0.8963	1
Echinococcus granulosus	GPCR family 2	0.0047	0.0245	0.0273
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0245	0.0273
Onchocerca volvulus		0.0168	0.1363	0.1476
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0032	0.0105	0.0117
Trichomonas vaginalis	glutaminase, putative	0.0267	0.2275	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0051	0.0281	0.0281
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0046	0.0046
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0022	0.0011	0.0012
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0168	0.1363	0.152
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0011	0.0011
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0019	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0751	0.0751
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0026	0.0046	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0659	0.5907	0.5907
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0168	0.1363	0.152
Plasmodium falciparum	histone deacetylase 2	0.0051	0.0281	0.2059
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0026	0.0046	0.0046
Brugia malayi	diacylglycerol kinase	0.0026	0.0046	0.0046
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0011	0.0012
Schistosoma mansoni	sphingoid long chain base kinase	0.0659	0.5907	0.659
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0011	0.0012
Schistosoma mansoni	histone deacetylase 4 5	0.0051	0.0281	0.0313
Schistosoma mansoni	sphingosine kinase A B	0.0659	0.5907	0.659
Brugia malayi	Importin beta-1 subunit	0.0028	0.0069	0.0069
Onchocerca volvulus		0.0168	0.1363	0.1476
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0069	0.0069
Brugia malayi	hypothetical protein	0.0168	0.1363	0.1363
Schistosoma mansoni	diacylglycerol kinase theta	0.0026	0.0046	0.0051
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0111	0.0831	0.0927
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.0281	0.0281
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0026	0.0045	0.005
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0022	0.0011	0.0012
Schistosoma mansoni	hypothetical protein	0.0047	0.0245	0.0273
Echinococcus granulosus	sphingosine kinase 1	0.0659	0.5907	0.659
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0168	0.1363	0.152
Echinococcus granulosus	sodium and chloride dependent glycine	0.0168	0.1363	0.152
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0022	0.0011	0.0011
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.0281	0.0281
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0011	0.0012
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0026	0.0046	0.0051
Brugia malayi	RNA, U transporter 1	0.008	0.0548	0.0548
Plasmodium vivax	hypothetical protein, conserved	0.0168	0.1363	1
Trypanosoma cruzi	Sphingosine kinase	0.0026	0.0046	0.0046
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1102	1	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0046	0.0046
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0011	0.0012
Schistosoma mansoni	hypothetical protein	0.0102	0.0751	0.0837
Echinococcus multilocularis	histone deacetylase 7	0.0051	0.0281	0.0313
Schistosoma mansoni	sodium/chloride dependent transporter	0.099	0.8963	1
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.0281	0.0313
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0295	0.2541	0.2835
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0168	0.1363	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0046	0.0046

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.3 uM	Cytotoxicity against mouse leukemia (P388) cell line	ChEMBL.	15109664
IC50 (functional)	= 1.3 uM	Cytotoxicity against mouse leukemia (P388) cell line	ChEMBL.	15109664
IC50 (functional)	= 1.8 uM	Cytotoxicity against human cervix carcinoma (HeLa) cell line	ChEMBL.	15109664
IC50 (functional)	= 1.8 uM	Cytotoxicity against human cervix carcinoma (HeLa) cell line	ChEMBL.	15109664
IC50 (functional)	= 3.2 uM	Inhibitory activity of the compound against rat fibroblast (3Y1) cell line	ChEMBL.	15109664
IC50 (binding)	= 30 uM	Inhibitory activity against histone deacetylase (HDAC)	ChEMBL.	15109664
IC50 (binding)	= 30 uM	Inhibitory activity against histone deacetylase (HDAC)	ChEMBL.	15109664

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15109664
Mus musculus	ChEMBL23	15109664

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 146643