TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 651.702 | Formula: C34H54INO3
H donors: 2 H acceptors: 3 LogP: 9.64 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN(C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2C2C1C1C[C@H]([C@@H]([C@]1(CC2)C)O)I)C
InChi: 1S/C34H54INO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28?,29?,30-,32?,33+,34+/m1/s1
InChiKey: RVINDJSSZOSLHM-BDECQOCFSA-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
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.0138	0.0011
Trichomonas vaginalis	ABC transporter, putative	0.0092	0.0791	1
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0053	0.039	0.4928
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0092	0.0791	1
Schistosoma mansoni	multidrug resistance protein	0.0092	0.0791	0.3629
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0	0.0001
Trichomonas vaginalis	abcb9, putative	0.0092	0.0791	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.1024	0.4695
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0053	0.039	0.3958
Brugia malayi	ABC transporter family protein	0.0029	0.0138	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0092	0.0791	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0096	0.1207
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.0138	0.0011
Entamoeba histolytica	P-glycoprotein-2	0.0092	0.0791	0.0673
Loa Loa (eye worm)	ABC transporter	0.0029	0.0138	0.0631
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0053	0.039	0.3958
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0029	0.0138	0.1736
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0092	0.0791	0.3629
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0092	0.0791	1
Schistosoma mansoni	multidrug resistance protein	0.0028	0.0127	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1083	0.4967
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0092	0.0791	0.3629
Schistosoma mansoni	multidrug resistance protein	0.0029	0.0138	0.0631
Entamoeba histolytica	hypothetical protein	0.0053	0.039	0.0266
Plasmodium falciparum	plasmepsin I	0.0049	0.0344	0.4349
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0121	0.1083	0.4967
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0	0.0001
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0053	0.039	0.0771
Schistosoma mansoni	cathepsin D (A01 family)	0.0144	0.1327	0.6086
Plasmodium falciparum	multidrug resistance protein 2	0.0029	0.0138	0.1736
Echinococcus granulosus	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Entamoeba histolytica	hypothetical protein	0.0053	0.039	0.0266
Schistosoma mansoni	smdr1	0.0029	0.0138	0.0631
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0029	0.0138	0.0272
Entamoeba histolytica	P-glycoprotein-5	0.0092	0.0791	0.0673
Entamoeba histolytica	multidrug resistance protein, putative	0.0029	0.0138	0.0011
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Echinococcus granulosus	multidrug resistance protein 1	0.0092	0.0791	0.3629
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0227	0.2181	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0346	0.1586
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0227	0.2181	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0053	0.039	0.1789
Brugia malayi	P-glycoprotein-like protein	0.0029	0.0138	0.0631
Echinococcus granulosus	ATP binding cassette sub family B	0.0028	0.0127	0.0584
Brugia malayi	hypothetical protein	0.0016	0.0005	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0127	0.0584
Toxoplasma gondii	aspartyl protease ASP1	0.0049	0.0344	0.4349
Leishmania major	ABC-thiol transporter	0.0029	0.0138	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.0138	1
Brugia malayi	isocitrate dehydrogenase	0.0016	0	0.0001
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0096	0.0189
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0029	0.0138	0.0272
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0092	0.0791	0.3629
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0029	0.0138	0.0272
Echinococcus granulosus	multidrug resistance protein 1	0.0064	0.0504	0.2312
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0092	0.0791	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0092	0.0791	0.3629
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0061	0.0471	0.2159
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0029	0.0138	0.5
Plasmodium falciparum	multidrug resistance protein 1	0.0092	0.0791	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1051	0.4822
Entamoeba histolytica	hypothetical protein	0.0053	0.039	0.0266
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0029	0.0138	0.0631
Trichomonas vaginalis	hypothetical protein	0.0053	0.039	0.3958
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Echinococcus multilocularis	multidrug resistance protein 1	0.0092	0.0791	0.3629
Plasmodium vivax	ABC transporter B family member 6, putative	0.0029	0.0138	0.1736
Loa Loa (eye worm)	multidrug resistance protein 3	0.0092	0.0791	0.3629
Plasmodium vivax	ABC transporter B family member 5, putative	0.0029	0.0138	0.1736
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0092	0.0791	0.3629
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 3	0.0053	0.039	0.1789
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0049	0.0344	0.3268
Plasmodium falciparum	plasmepsin IV	0.0049	0.0344	0.4349
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0053	0.039	0.1789
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0029	0.0138	0.1736
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0029	0.0138	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0092	0.0791	0.3629
Echinococcus granulosus	multidrug resistance protein 1	0.0092	0.0791	0.3629
Echinococcus granulosus	multidrug resistance associated protein 7	0.0029	0.0138	0.0631
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0115	0.1024	0.4695
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0	0.0001
Onchocerca volvulus		0.0092	0.0791	0.5
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0029	0.0138	0.1736
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0092	0.0791	0.3629
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1051	0.4822
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0506	0.5054	1
Brugia malayi	hypothetical protein	0.0029	0.0138	0.0631
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0029	0.0138	0.5
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0029	0.0138	0.0631
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0092	0.0791	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.0138	0.0272
Echinococcus multilocularis		0.0029	0.0138	0.0631
Brugia malayi	ABC transporter family protein	0.0092	0.0791	0.3629
Plasmodium vivax	multidrug resistance protein 2, putative	0.0029	0.0138	0.1736
Schistosoma mansoni	multidrug resistance protein	0.0092	0.0791	0.3629
Trichomonas vaginalis	ABC transporter, putative	0.0092	0.0791	1
Echinococcus granulosus	p2X purinoceptor 4	0.0151	0.1396	0.6403
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Brugia malayi	Isocitrate dehydrogenase	0.0016	0	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.039	0.3958
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0	0.0001
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0138	0.5
Plasmodium vivax	ABC transporter B family member 4, putative	0.0029	0.0138	0.1736
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.1024	0.4695
Plasmodium vivax	aspartyl proteinase, putative	0.0049	0.0344	0.4349
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0053	0.039	0.3958
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0029	0.0138	0.1736
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0	0.0001
Schistosoma mansoni	multidrug resistance protein	0.0029	0.0138	0.0631
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0029	0.0138	0.5
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0092	0.0791	0.3629
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0115	0.1024	0.4695
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0091	0.0781	0.3582
Brugia malayi	hypothetical protein	0.0025	0.0096	0.0439
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.0138	0.0011
Schistosoma mansoni	multidrug resistance protein	0.0029	0.0138	0.0631
Schistosoma mansoni	multidrug resistance protein	0.0029	0.0138	0.0631
Trypanosoma brucei	inositol phosphorylceramide synthase	0.0053	0.039	0.0771
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0029	0.0138	0.1736
Brugia malayi	multidrug resistance related protein 1	0.0029	0.0138	0.0631
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0053	0.039	0.4928
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0029	0.0138	0.0272
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0506	0.5054	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0151	0.1396	0.6403
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0029	0.0138	0.0272
Entamoeba histolytica	P-glycoprotein-2, putative	0.0092	0.0791	0.0673
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0029	0.0138	0.0272
Plasmodium vivax	multidrug resistance protein 1, putative	0.0092	0.0791	1
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0029	0.0138	0.0272
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0029	0.0138	0.1736
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0092	0.0791	1
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0029	0.0138	0.0272
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0029	0.0138	0.1736
Schistosoma mansoni	peptidylglycine monooxygenase	0.0121	0.1083	0.4967
Entamoeba histolytica	P-glycoprotein 6, putative	0.0029	0.0138	0.0011
Trichomonas vaginalis	taga, putative	0.0092	0.0791	1
Leishmania major	p-glycoprotein	0.0092	0.0791	0.1565
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0227	0.2181	1
Schistosoma mansoni	P2X receptor subunit	0.0151	0.1396	0.6403
Toxoplasma gondii	ABC transporter, putative	0.0029	0.0138	0.1736
Leishmania major	p-glycoprotein e	0.0029	0.0138	0.0272
Schistosoma mansoni	smdr2	0.0092	0.0791	0.3629
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0096	0.0189
Brugia malayi	ABC transporter transmembrane region family protein	0.0028	0.0127	0.0584
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0053	0.039	0.1789
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0138	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0115	0.1024	0.4695
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0053	0.039	0.1789
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.0138	0.0631
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0115	0.1024	0.4695
Leishmania major	hypothetical protein, conserved	0.0025	0.0096	0.0189
Brugia malayi	ABC transporter	0.0029	0.0138	0.0631
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Echinococcus multilocularis	ATP binding cassette sub family B	0.0091	0.0781	0.3582
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0092	0.0791	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0029	0.0138	0.5
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0029	0.0138	0.1736
Echinococcus granulosus	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0053	0.039	0.1789
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0186	0.0852
Entamoeba histolytica	ABC transporter, putative	0.0029	0.0138	0.0011
Schistosoma mansoni	hypothetical protein	0.0034	0.0186	0.0852
Echinococcus multilocularis	p2X purinoceptor 4	0.0151	0.1396	0.6403
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0049	0.0344	0.1579
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0092	0.0791	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0186	0.0852
Giardia lamblia	MRP-like ABC transporter	0.0029	0.0138	1
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0029	0.0138	0.1736
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0092	0.0791	0.3629
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0504	0.5674
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0092	0.0791	0.1565
Entamoeba histolytica	P-glycoprotein-1	0.0092	0.0791	0.0673
Echinococcus granulosus	p2X purinoceptor 4	0.0151	0.1396	0.6403
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0121	0.1083	0.4967
Trichomonas vaginalis	ABC transporter, putative	0.0092	0.0791	1
Echinococcus granulosus	multidrug resistance protein 1	0.0064	0.0504	0.2312
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Plasmodium falciparum	plasmepsin II	0.0049	0.0344	0.4349
Giardia lamblia	ABC transporter, putative	0.0029	0.0138	1
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0053	0.039	0.3958
Loa Loa (eye worm)	ABC transporter	0.0029	0.0138	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0127	0.0584
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0346	0.1586
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0346	0.1586
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0227	0.2181	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0029	0.0138	0.0631
Toxoplasma gondii	hypothetical protein	0.0053	0.039	0.4928
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0	0.0001
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0029	0.0138	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0096	0.0439
Plasmodium falciparum	plasmepsin VI	0.0049	0.0344	0.4349
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0029	0.0138	0.1736
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0138	0.0631
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0029	0.0138	0.0156
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Leishmania major	pentamidine resistance protein 1	0.0029	0.0138	0.0272
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0049	0.0344	0.1579
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0029	0.0138	0.1736
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.0138	0.0272
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0506	0.5054	1
Loa Loa (eye worm)	ABC transporter	0.0029	0.0138	0.0631
Brugia malayi	ABC transporter transmembrane region family protein	0.0029	0.0138	0.0631
Brugia malayi	multidrug resistance protein 3	0.0092	0.0791	0.3629
Echinococcus granulosus	p2X purinoceptor 4	0.0151	0.1396	0.6403
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0049	0.0344	0.4349
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0096	0.1207
Echinococcus granulosus	multidrug resistance associated protein 1	0.0029	0.0138	0.0631
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0029	0.0138	0.0631
Schistosoma mansoni	cathepsin D (A01 family)	0.0144	0.1327	0.6086
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0029	0.0138	0.0631
Schistosoma mansoni	P2X receptor subunit	0.0151	0.1396	0.6403
Trichomonas vaginalis	abcb9, putative	0.0092	0.0791	1
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0029	0.0138	0.1736
Plasmodium vivax	plasmepsin IV, putative	0.0049	0.0344	0.4349
Brugia malayi	Sphingomyelin synthase-related 1	0.0053	0.039	0.1789
Echinococcus multilocularis	multidrug resistance protein 1	0.0064	0.0504	0.2312
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0092	0.0791	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0029	0.0138	0.0011
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0346	0.1586
Echinococcus granulosus	multidrug resistance protein 1	0.0092	0.0791	0.3629
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0115	0.1024	0.4695
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0092	0.0791	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0151	0.1396	0.6403
Trypanosoma brucei	multidrug resistance protein E	0.0029	0.0138	0.0272
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0029	0.0138	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0791	0.3629
Trichomonas vaginalis	ABC transporter, putative	0.0092	0.0791	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0138	0.5
Schistosoma mansoni	P2X receptor subunit	0.0151	0.1396	0.6403
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0053	0.039	0.4928
Toxoplasma gondii	ABC transporter family protein	0.0029	0.0138	0.1736
Schistosoma mansoni	multidrug resistance protein	0.0029	0.0138	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0781	0.3582
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0791	0.3629
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0506	0.5054	1
Entamoeba histolytica	hypothetical protein	0.0053	0.039	0.0266
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0029	0.0138	0.0272
Entamoeba histolytica	hypothetical protein	0.0053	0.039	0.0266
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0053	0.039	0.4928
Loa Loa (eye worm)	hypothetical protein	0.0053	0.039	0.1789
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0053	0.039	0.0266
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0029	0.0138	0.0272
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0059	0.0452	0.2074
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0096	0.0189
Entamoeba histolytica	P-glycoprotein-2	0.0092	0.0791	0.0673
Entamoeba histolytica	hypothetical protein	0.0029	0.0138	0.0011
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0029	0.0138	0.5
Brugia malayi	ABC transporter	0.0028	0.0127	0.0584
Brugia malayi	ABC transporter family protein	0.0029	0.0138	0.0631
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0029	0.0138	0.1736
Schistosoma mansoni	spingomyelin synthetase-related	0.0053	0.039	0.1789
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0092	0.0791	0.5
Brugia malayi	MH2 domain containing protein	0.0118	0.1051	0.4822
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0138	0.0631
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0096	0.1207
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0049	0.0344	0.1579
Plasmodium vivax	ABC transporter B family member 3, putative	0.0029	0.0138	0.1736
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0092	0.0791	0.3629
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0028	0.0127	0.0584
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0	0.0001
Entamoeba histolytica	P-glycoprotein 5, putative	0.0092	0.0791	0.0673
Entamoeba histolytica	P-glycoprotein 6, putative	0.0029	0.0138	0.0011
Plasmodium vivax	ABC transporter B family member 7, putative	0.0029	0.0138	0.1736
Schistosoma mansoni	P2X receptor subunit	0.0151	0.1396	0.6403
Trypanosoma brucei	p-glycoprotein	0.0029	0.0138	0.0272
Giardia lamblia	Multidrug resistance-associated protein 1	0.0029	0.0138	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0344	0.1579
Entamoeba histolytica	P-glyco protein 6, putative	0.0092	0.0791	0.0673
Echinococcus multilocularis	multidrug resistance protein 1	0.0092	0.0791	0.3629
Schistosoma mansoni	multidrug resistance protein	0.0092	0.0791	0.3629
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0049	0.0344	0.1579
Trichomonas vaginalis	abcb9, putative	0.0092	0.0791	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0029	0.0138	0.0272
Brugia malayi	ABC transporter family protein	0.0029	0.0138	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0138	0.0631
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0092	0.0791	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0029	0.0138	0.0272
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0096	0.1207
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0029	0.0138	0.0272
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0	0.0001
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0506	0.5054	1
Loa Loa (eye worm)	hypothetical protein	0.0227	0.2181	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0092	0.0791	1
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0053	0.039	0.1789
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0053	0.039	0.4928

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 63 %	Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 3 ug dose twice daily	ChEMBL.	2033587
Inhibition (functional)	= 89 %	Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 20 ug dose twice daily	ChEMBL.	2033587
RBA (binding)	= 1.2	Relative binding affinity for estrogen receptor from immature rat uterus	ChEMBL.	2033587

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: 162810

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 63047