TDR Targets

Basic information

Technical information

TDR Targets ID: 1414445
Name: ethyl 1-[(2-furan-2-ylphenyl)methyl]-4-(oxan- 2-ylmethyl)piperidine-4-carboxylate
MW: 411.534 | Formula: C25H33NO4
H donors: 0 H acceptors: 1 LogP: 4.14 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1(CCN(CC1)Cc1ccccc1c1ccco1)CC1CCCCO1
InChi: 1S/C25H33NO4/c1-2-28-24(27)25(18-21-9-5-6-16-29-21)12-14-26(15-13-25)19-20-8-3-4-10-22(20)23-11-7-17-30-23/h3-4,7-8,10-11,17,21H,2,5-6,9,12-16,18-19H2,1H3
InChiKey: LFLXIFDCGKCJMS-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

ethyl 1-[[2-(2-furyl)phenyl]methyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate
1-[[2-(2-furyl)phenyl]methyl]-4-(2-tetrahydropyranylmethyl)-4-piperidinecarboxylic acid ethyl ester
1-[2-(2-furyl)benzyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester
MLS000733063
SMR000316452
ethyl 1-[2-(2-furyl)benzyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidine-4-carboxylate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0055	0.0055
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0032	0.0541	0.8517
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0032	0.0541	0.0597
Brugia malayi	major facilitator superfamily protein	0.0015	0.0183	0.0645
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0032	0.0541	0.0597
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0074	0.1396	0.1396
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1386	0.1386
Onchocerca volvulus		0.0035	0.0589	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0361	0.6849
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0302	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Schistosoma mansoni	sugar transporter	0.0015	0.0183	0.0183
Echinococcus granulosus	General substrate transporter	0.0091	0.1738	0.1738
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0183	0.2874
Schistosoma mansoni	myst-related protein	0.0006	0.0009	0.0009
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0528	0.9752
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.055	0.269
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0316	0.1115
Echinococcus granulosus	calcium dependent protein kinase	0.003	0.05	0.05
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0183	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0974	0.3439
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0635	0.106
Leishmania major	glucose transporter, lmgt2	0.0033	0.055	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0448	0.9065	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0361	0.0361
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0183	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0183	0.2874
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus multilocularis	zinc finger protein	0.0026	0.0403	0.0403
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0069	0.1283	0.2141
Plasmodium falciparum	protein kinase 6	0.0448	0.9065	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Trypanosoma brucei	glucose transporter 2A	0.0033	0.055	0.8651
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0192
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.008	0.0281
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.055	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0316	0.0316
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0108	0.2978
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0032	0.0541	0.191
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0183	0.0645
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0361	0.0603
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0145	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Schistosoma mansoni	hypothetical protein	0.0025	0.0389	0.0389
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trypanosoma brucei	ISWI complex protein	0.0018	0.0257	0.4043
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0183	0.0201
Toxoplasma gondii	protein kinase, putative	0.0298	0.5994	1
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0183	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.055	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.2043	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0528	0.2583
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0257	0.4043
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2833	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.008	0.008
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0361	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0361	0.6849
Schistosoma mansoni	hypothetical protein	0.0106	0.2043	0.2043
Schistosoma mansoni	cpg binding protein	0.0039	0.0677	0.0677
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.03	0.03
Brugia malayi	major facilitator superfamily protein	0.0015	0.0183	0.0645
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0635	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0589	0.2079
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0389	0.1373
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0183	0.2874
Loa Loa (eye worm)	Smad1	0.001	0.008	0.0281
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0032	0.0541	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Echinococcus granulosus	fetal alzheimer antigen falz	0.0029	0.0477	0.0477
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0032	0.0541	0.0541
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0528	0.1863
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0528	0.0528
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.055	0.269
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0316	0.0316
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Schistosoma mansoni	protein kinase	0.0032	0.0541	0.0541
Mycobacterium ulcerans	sugar transporter	0.0015	0.0183	0.5052
Entamoeba histolytica	protein kinase, putative	0.0032	0.0541	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.055	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0289	1
Brugia malayi	hypothetical protein	0.0015	0.0183	0.0645
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.055	0.8651
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0315	0.1113
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0245	0.386
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0183	0.6328
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0528	0.0528
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Plasmodium falciparum	hexose transporter	0.0106	0.2043	0.2253
Echinococcus multilocularis	calcium dependent protein kinase	0.003	0.05	0.05
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0183	0.5052
Plasmodium falciparum	zinc finger protein, putative	0.0006	0.0009	0.001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Schistosoma mansoni	smad1 5 8 and	0.001	0.008	0.008
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0361	0.1769
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0361	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Plasmodium falciparum	protein kinase 7	0.0298	0.5994	0.6612
Echinococcus granulosus	zinc finger protein	0.0026	0.0403	0.0403
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0361	0.0361
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.055	0.8651
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0098	0.0098
Echinococcus multilocularis	Smad4	0.001	0.008	0.008
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.055	0.269
Trichomonas vaginalis	helicase, putative	0.0008	0.0039	0.0192
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0589	0.2079
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.008	0.008
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0289	0.5469
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.008	0.0281
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0183	0.0183
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0183	1
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0183	0.5052
Brugia malayi	MH2 domain containing protein	0.0144	0.2833	1
Giardia lamblia	Hexose transporter	0.0015	0.0183	0.346
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0183	0.0183
Toxoplasma gondii	facilitative glucose transporter GT1	0.0106	0.2043	0.3408
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0183	0.0183
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0316	0.0316
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Plasmodium vivax	hexose transporter	0.0106	0.2043	0.2253
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0635	0.0701
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2833	1
Schistosoma mansoni	myst-related protein	0.0006	0.0009	0.0009
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0183	0.0894
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0183	0.0183
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Brugia malayi	Sugar transporter family protein	0.0015	0.0183	0.0645
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0541	0.191
Schistosoma mansoni	Smad4	0.001	0.008	0.008
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0032	0.0541	0.0903
Leishmania major	glucose transporter, lmgt1	0.0033	0.055	0.8651
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0541	0.2648
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.055	0.8651
Brugia malayi	Bromodomain containing protein	0.0093	0.1775	0.6265
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Schistosoma mansoni	protein kinase	0.0032	0.0541	0.0541
Schistosoma mansoni	protein kinase	0.0032	0.0541	0.0541
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.055	0.8651
Echinococcus multilocularis	smad	0.001	0.008	0.008
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0406	0.1433
Entamoeba histolytica	hypothetical protein	0.0006	0.0009	0.0173
Echinococcus granulosus	solute carrier family 22	0.0015	0.0183	0.0183
Schistosoma mansoni	zinc finger protein	0.0018	0.0257	0.0257
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Echinococcus multilocularis	General substrate transporter	0.0091	0.1738	0.1738
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0183	0.0894
Schistosoma mansoni	hypothetical protein	0.0018	0.0257	0.0257
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0192
Giardia lamblia	Sugar-proton symporter	0.0015	0.0183	0.346
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0032	0.0541	0.191
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0032	0.0541	0.0597
Echinococcus granulosus	smad	0.001	0.008	0.008
Entamoeba histolytica	hypothetical protein	0.0024	0.0361	0.6679
Echinococcus granulosus	cpg binding protein	0.0039	0.0677	0.0677
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0032	0.0541	0.0597
Schistosoma mansoni	smad	0.001	0.008	0.008
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0106	0.2043	0.2043
Brugia malayi	MH2 domain containing protein	0.001	0.008	0.0281
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0183	0.2874
Brugia malayi	Sugar transporter family protein	0.0106	0.2043	0.7212
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0183	0.0305
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0171	0.3376	0.5632
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0767	0.0767
Schistosoma mansoni	bromodomain containing protein	0.0007	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0025	0.0087
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0528	0.0528
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0316	0.0316
Brugia malayi	hypothetical protein	0.0015	0.0183	0.0645
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0361	0.5689
Echinococcus granulosus	solute carrier family 22	0.0015	0.0183	0.0183
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0183	0.0645
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0361	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0183	0.0645
Brugia malayi	Smad1	0.001	0.008	0.0281
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Trypanosoma cruzi	hexose transporter	0.0033	0.055	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Schistosoma mansoni	sugar transporter	0.0015	0.0183	0.0183
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0361	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.055	0.269
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0032	0.0541	0.191
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0032	0.0541	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.055	0.269
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Schistosoma mansoni	glucose transport protein	0.0106	0.2043	0.2043
Schistosoma mansoni	zinc finger protein	0.0026	0.0403	0.0403
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0029	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1628	0.5749
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0183	0.0183
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0183	0.6328
Brugia malayi	Sugar transporter family protein	0.0015	0.0183	0.0645
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.008	0.008
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0257	0.4043
Trypanosoma brucei	glucose transporter 1E	0.0033	0.055	0.8651
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0528	0.1863
Schistosoma mansoni	glucose transport protein	0.0106	0.2043	0.2043
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0183	0.0894
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0171	0.3376	0.3724
Echinococcus multilocularis	cpg binding protein	0.0039	0.0677	0.0677
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0635	1
Schistosoma mansoni	cpg binding protein	0.0039	0.0677	0.0677
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0055	0.0055
Brugia malayi	MH1 domain containing protein	0.001	0.008	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0886	0.3129
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2043	0.2043
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0171	0.3376	0.3724
Brugia malayi	MH1 domain containing protein	0.001	0.008	0.0281
Plasmodium vivax	sugar transporter, putative	0.0015	0.0183	0.0201
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0074	0.1396	0.1396
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0183	0.0183
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0192
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0192
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0032	0.0541	0.0597
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0183	0.0645
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0183	0.5052
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0183	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0183	0.0645
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.03	0.03
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0767	0.0767
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0183	0.0305
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Schistosoma mansoni	smad1 5 8 and	0.001	0.008	0.008
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.008	0.008
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0361	0.5689
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0098	0.0098
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0183	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0361	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.055	0.8651
Loa Loa (eye worm)	sugar transporter	0.0106	0.2043	0.7212
Leishmania major	glucose transporter, lmgt3	0.0033	0.055	0.8651
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0183	0.2874
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0361	0.0361
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0183	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0361	0.1276
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Brugia malayi	F/Y-rich N-terminus family protein	0.0013	0.0143	0.0503
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0528	1
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0183	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0528	0.1863
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0289	1
Entamoeba histolytica	protein kinase, putative	0.0032	0.0541	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0029	0.0477	0.0477
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0032	0.0541	0.0597
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0183	0.0183
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Schistosoma mansoni	smad1 5 8 and	0.001	0.008	0.008
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0032	0.0541	0.0903
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0108	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0032	0.0541	0.0541
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0032	0.0541	0.0597
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.008	0.008
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0183	0.0645
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0635	1
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0183	0.0305
Echinococcus granulosus	solute carrier family 22	0.0015	0.0183	0.0183
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0541	0.0541
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.03	0.03
Leishmania major	hypothetical protein, conserved	0.0015	0.0183	0.2874
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0183	0.0183
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0108	0.2978
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Brugia malayi	hypothetical protein	0.0015	0.0183	0.0645
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.03	0.03
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0635	1
Leishmania major	hypothetical protein, conserved	0.0018	0.0257	0.4043
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0635	0.0701
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0528	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0098	0.0346
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0635	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0828	0.2922
Schistosoma mansoni	glucose transport protein	0.0106	0.2043	0.2043
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0361	0.0399
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0361	0.0361
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0055	0.0055
Schistosoma mansoni	sugar transporter	0.0015	0.0183	0.0183
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0361	0.1276
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0528	0.1863
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.055	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0183	0.0183
Schistosoma mansoni	cpg binding protein	0.0035	0.0589	0.0589
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0033	0.055	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0032	0.0541	0.0903
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus granulosus	solute carrier family 22	0.0015	0.0183	0.0183
Echinococcus granulosus	Smad4	0.001	0.008	0.008
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Brugia malayi	Bromodomain containing protein	0.0046	0.0826	0.2916
Leishmania major	protein kinase, putative	0.0032	0.0541	0.8517
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0183	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Schistosoma mansoni	glucose transporter	0.0015	0.0183	0.0183
Schistosoma mansoni	bromodomain containing protein	0.0078	0.1485	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0183	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0183	0.0894
Brugia malayi	Cam kinase protein 1	0.0032	0.0541	0.191
Brugia malayi	MH2 domain containing protein	0.001	0.008	0.0281
Brugia malayi	PHD-finger family protein	0.0032	0.0535	0.1889

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1548840

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1414445