TDR Targets

Basic information

Technical information

TDR Targets ID: 1539865
Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl) -pentylamino]-2-oxoethyl] 2-(2,4,6-trimethylp henoxy)acetate
MW: 502.603 | Formula: C26H38N4O6
H donors: 2 H acceptors: 4 LogP: 4.06 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCN(c1c(=O)[nH]c(=O)n(c1N)CCCC)C(=O)COC(=O)COc1c(C)cc(cc1C)C
InChi: 1S/C26H38N4O6/c1-6-8-10-12-29(22-24(27)30(11-9-7-2)26(34)28-25(22)33)20(31)15-35-21(32)16-36-23-18(4)13-17(3)14-19(23)5/h13-14H,6-12,15-16,27H2,1-5H3,(H,28,33,34)
InChiKey: HYZLXCQSLNILHY-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl] 2-(2,4,6-trimethylphenoxy)acetate
2-(2,4,6-trimethylphenoxy)acetic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-2-oxoethyl] ester
2-(2,4,6-trimethylphenoxy)acetic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-2-keto-ethyl] ester
[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0448	0.1607
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0582	0.2089
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0065	0.0161
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0036	0.0597	0.0597
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0065	0.0232
Echinococcus granulosus	smad	0.001	0.0065	0.0161
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0399	1
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Schistosoma mansoni	glucose transporter	0.0017	0.0201	0.0502
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0036	0.0597	0.0903
Mycobacterium ulcerans	integral membrane transport protein	0.0017	0.0201	0.5052
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.1488
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0399	0.0994
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Brugia malayi	major facilitator superfamily protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0036	0.0597	0.0597
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0015	0.016	0.0573
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Brugia malayi	Sugar transporter family protein	0.0118	0.2253	0.8086
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0036	0.0597	0.1488
Leishmania major	hypothetical protein, conserved	0.0017	0.0201	0.2874
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0226	0.0563
Schistosoma mansoni	hypothetical protein	0.0018	0.0226	0.0563
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0911	0.227
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Echinococcus multilocularis	Smad4	0.001	0.0065	0.0161
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0399	0.143
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Plasmodium vivax	sugar transporter, putative	0.0017	0.0201	0.0201
Onchocerca volvulus		0.0017	0.0201	0.5
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0582	0.1451
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0582	0.1451
Brugia malayi	MH1 domain containing protein	0.001	0.0065	0.0232
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0017	0.0201	0.6328
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1005	0.3605
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0911	0.227
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0582	1
Toxoplasma gondii	sugar transporter ST2	0.0017	0.0201	0.0305
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0017	0.0201	0.0305
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0606	0.269
Leishmania major	glucose transporter, lmgt1	0.0037	0.0606	0.8651
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0036	0.0597	0.2142
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0399	0.0603
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0399	1
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0723
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Echinococcus granulosus	GPCR family 2	0.0018	0.0226	0.0563
Schistosoma mansoni	hypothetical protein	0.0018	0.0226	0.0563
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0017	0.0201	0.0502
Onchocerca volvulus		0.0017	0.0201	0.5
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0036	0.0597	0.2142
Schistosoma mansoni	smad	0.001	0.0065	0.0161
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0723
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0911	0.3268
Chlamydia trachomatis	proline--tRNA ligase	0.0012	0.0119	0.2978
Onchocerca volvulus		0.0017	0.0201	0.5
Trypanosoma brucei	sugar transporter, putative	0.0017	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0644	0.2312
Leishmania major	myo-inositol/proton symporter (MIT)	0.0017	0.0201	0.2874
Loa Loa (eye worm)	sugar transporter	0.0017	0.0201	0.0723
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0502
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0041	0.0701	0.106
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0017	0.0201	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0582	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0036	0.0597	0.0597
Echinococcus granulosus	geminin	0.0205	0.4012	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0911	0.227
Plasmodium vivax	proline--tRNA ligase, putative	0.0041	0.0701	0.0701
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0226	0.0563
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Echinococcus multilocularis	smad	0.001	0.0065	0.0161
Brugia malayi	MH1 domain containing protein	0.001	0.0065	0.0232
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	sugar transporter	0.0118	0.2253	0.8086
Loa Loa (eye worm)	Smad1	0.001	0.0065	0.0232
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0017	0.0201	0.0305
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0582	0.1451
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0017	0.0201	0.2874
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0017	0.0201	0.5052
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0399	0.0994
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	0.5
Echinococcus multilocularis	General substrate transporter	0.0101	0.1918	0.478
Entamoeba histolytica	protein kinase, putative	0.0036	0.0597	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0037	0.0606	0.8651
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0065	0.0161
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	0.5617
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0036	0.0597	0.0597
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.1488
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0036	0.0597	0.0903
Schistosoma mansoni	smad1 5 8 and	0.001	0.0065	0.0161
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	0.5617
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0597	0.2142
Trichomonas vaginalis	CAMK family protein kinase	0.0036	0.0597	0.2648
Trichomonas vaginalis	glucose transporter, putative	0.0037	0.0606	0.269
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0065	0.0161
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0201	0.0723
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0502
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1005	0.3605
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0911	0.227
Echinococcus granulosus	Smad4	0.001	0.0065	0.0161
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.019	0.3724	0.5632
Giardia lamblia	Hexose transporter	0.0017	0.0201	0.346
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0644	0.2312
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0911	0.227
Plasmodium falciparum	mitogen-activated protein kinase 2	0.019	0.3724	0.3724
Plasmodium falciparum	protein kinase 7	0.0333	0.6612	0.6612
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0701	1
Onchocerca volvulus		0.0017	0.0201	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0723
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0036	0.0597	0.0903
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2787	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0606	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0017	0.0201	0.0502
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0399	0.6849
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1005	0.3605
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0065	0.0161
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0017	0.0201	0.0723
Echinococcus multilocularis	calcium dependent protein kinase	0.0034	0.0552	0.1375
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Trypanosoma cruzi	glucose transporter, putative	0.0017	0.0201	0.2874
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0399	1
Plasmodium vivax	hexose transporter	0.0118	0.2253	0.2253
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	1
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0502
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0036	0.0597	0.8517
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Schistosoma mansoni	smad1 5 8 and	0.001	0.0065	0.0161
Leishmania major	glucose transporter, lmgt2	0.0037	0.0606	0.8651
Schistosoma mansoni	glucose transport protein	0.0118	0.2253	0.5617
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0036	0.0597	0.0597
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0318	1
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0502
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0017	0.0201	1
Onchocerca volvulus		0.0017	0.0201	0.5
Entamoeba histolytica	hypothetical protein	0.0026	0.0399	0.6679
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0399	0.0994
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0017	0.0201	0.0502
Schistosoma mansoni	hypothetical protein	0.0018	0.0226	0.0563
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0036	0.0597	0.0597
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Onchocerca volvulus		0.0017	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0036	0.0597	0.1488
Entamoeba histolytica	protein kinase, putative	0.0036	0.0597	1
Brugia malayi	Cam kinase protein 1	0.0036	0.0597	0.2142
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0582	0.9752
Brugia malayi	Sugar transporter family protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Schistosoma mansoni	hypothetical protein	0.0018	0.0226	0.0563
Trichomonas vaginalis	sugar transport protein, putative	0.0017	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0597	0.1488
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0036	0.0597	0.2142
Schistosoma mansoni	sugar transporter	0.0017	0.0201	0.0502
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0597	0.1488
Trypanosoma cruzi	sugar transporter, putative	0.0017	0.0201	0.2874
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0065	0.0232
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0399	0.0994
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0701	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0226	0.0563
Plasmodium falciparum	proline--tRNA ligase	0.0041	0.0701	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0037	0.0606	0.8651
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0399	0.0399
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0036	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0582	0.2089
Brugia malayi	MH2 domain containing protein	0.0144	0.2787	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Giardia lamblia	Sugar-proton symporter	0.0017	0.0201	0.346
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0723
Schistosoma mansoni	hypothetical protein	0.0038	0.0644	0.1606
Plasmodium falciparum	hexose transporter	0.0118	0.2253	0.2253
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0201	0.2874
Echinococcus granulosus	solute carrier family 22	0.0017	0.0201	0.0502
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2787	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0017	0.0201	0.0723
Plasmodium vivax	CDK-related protein kinase 6, putative	0.05	1	1
Onchocerca volvulus	Putative transporter	0.0017	0.0201	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.2253	1
Onchocerca volvulus		0.0017	0.0201	0.5
Toxoplasma gondii	facilitative glucose transporter GT1	0.0118	0.2253	0.3408
Brugia malayi	Smad1	0.001	0.0065	0.0232
Brugia malayi	MH2 domain containing protein	0.001	0.0065	0.0232
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0017	0.0201	0.5052
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0502
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0012	0.0119	0.2978
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0065	0.0161
Trichomonas vaginalis	sugar transporter, putative	0.0037	0.0606	0.269
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0226	0.0563
Leishmania major	glucose transporter, lmgt3	0.0037	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0036	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trypanosoma brucei	glucose transporter 2A	0.0037	0.0606	0.8651
Echinococcus multilocularis	geminin	0.0205	0.4012	1
Echinococcus multilocularis	solute carrier family 22	0.0017	0.0201	0.0502
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.5689
Onchocerca volvulus		0.0017	0.0201	0.5
Brugia malayi	major facilitator superfamily protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Brugia malayi	MH2 domain containing protein	0.001	0.0065	0.0232
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0226	0.0811
Trypanosoma cruzi	hexose transporter, putative	0.002	0.027	0.386
Trichomonas vaginalis	glucose transporter, putative	0.0037	0.0606	0.269
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0017	0.0201	0.6328
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0399	0.6849
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0118	0.2253	0.5617
Trypanosoma cruzi	hexose transporter	0.0037	0.0606	0.8651
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0701	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0911	0.227
Onchocerca volvulus		0.0017	0.0201	0.5
Schistosoma mansoni	hypothetical protein	0.0205	0.4012	1
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0226	0.0811
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Trichomonas vaginalis	myo-inositol transporter, putative	0.0017	0.0201	0.0894
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0399	0.0399
Echinococcus granulosus	General substrate transporter	0.0101	0.1918	0.478
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0036	0.0597	0.0597
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0226	0.0563
Onchocerca volvulus		0.0017	0.0201	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0226	0.0811
Echinococcus granulosus	calcium dependent protein kinase	0.0034	0.0552	0.1375
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0911	0.227
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1005	0.3605
Trypanosoma brucei	glucose transporter 1E	0.0037	0.0606	0.8651
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0582	0.2089
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.019	0.3724	0.3724
Mycobacterium ulcerans	sugar transporter	0.0017	0.0201	0.5052
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0333	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0226	0.0811
Schistosoma mansoni	Smad4	0.001	0.0065	0.0161
Toxoplasma gondii	sugar transporter ST3	0.0017	0.0201	0.0305
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0201	0.0894
Leishmania major	protein kinase, putative	0.0036	0.0597	0.8517
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Schistosoma mansoni	hypothetical protein	0.0118	0.2253	0.5617
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	hypothetical protein	0.0205	0.4012	1
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0017	0.0201	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Onchocerca volvulus		0.0017	0.0201	0.5
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0118	0.2253	0.5617
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0399	0.143
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0582	0.2089
Onchocerca volvulus		0.0017	0.0201	0.5
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0119	1
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	0.5469
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0582	0.1451
Trypanosoma cruzi	hexose transporter, putative	0.0037	0.0606	0.8651
Brugia malayi	Major Facilitator Superfamily protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0201	0.0894
Schistosoma mansoni	smad1 5 8 and	0.001	0.0065	0.0161
Trypanosoma brucei	glucose transporter, putative	0.0037	0.0606	0.8651
Toxoplasma gondii	protein kinase, putative	0.0333	0.6612	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0201	0.0723
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0399	0.1769
Trichomonas vaginalis	glucose transporter, putative	0.0017	0.0201	0.0894
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0911	0.3268

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5174 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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 for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	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)	35.4813 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)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1901918

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1539865