TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.922 | Formula: C20H21ClN4O6S
H donors: 1 H acceptors: 6 LogP: 1.93 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)[N+](=O)[O-])Cl)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)C
InChi: 1S/C20H21ClN4O6S/c1-14(26)15-2-5-17(6-3-15)32(30,31)24-10-8-23(9-11-24)13-20(27)22-16-4-7-18(21)19(12-16)25(28)29/h2-7,12H,8-11,13H2,1H3,(H,22,27)
InChiKey: JWRZTKFOKVLBDT-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase		No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania infantum	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania mexicana	6-phospho-1-fructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma congolense	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Loa Loa (eye worm)	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania braziliensis	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	6 phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trichomonas vaginalis	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C)	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium ulcerans	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Trypanosoma brucei gambiense	ATP-dependent phosphofructokinase,6-phospho-1-fructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Schistosoma mansoni	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Leishmania major	ATP-dependent phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	Get druggable targets OG5_126758	All targets in OG5_126758
Candida albicans	phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C)	Get druggable targets OG5_126758	All targets in OG5_126758
Entamoeba histolytica	phosphofructokinase, putative	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	6-phosphofructokinase	Get druggable targets OG5_126758	All targets in OG5_126758
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	hypothetical protein	Get druggable targets OG5_126758	All targets in OG5_126758

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
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 %
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
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.2187	0.2187
Trichomonas vaginalis	AGC family protein kinase	0.0155	0.2715	0.2715
Entamoeba histolytica	protein kinase 2, putative	0.0301	0.5959	0.5959
Schistosoma mansoni	hypothetical protein	0.0205	0.3821	0.543
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2474	0.2084
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0155	0.2715	0.3625
Echinococcus granulosus	serine threonine protein kinase nrc	0.0301	0.5959	0.8918
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0053	0.5
Giardia lamblia	Kinase, AGC PKA	0.0301	0.5959	1
Echinococcus granulosus	nervana 2	0.0297	0.5885	0.8797
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0053	0.0088
Schistosoma mansoni	serine/threonine-protein kinase	0.033	0.6622	1
Echinococcus granulosus	protein kinase C gamma type	0.0155	0.2715	0.3625
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0155	0.2715	0.2337
Echinococcus granulosus	NDR protein kinase	0.0155	0.2715	0.3625
Mycobacterium ulcerans	6-phosphofructokinase	0.0131	0.2187	0.5
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.033	0.6622	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0131	0.2187	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0185	0.3378	0.3378
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Echinococcus multilocularis	nervana 2	0.0297	0.5885	0.8797
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.2187	0.2187
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0035	0.0053	0.0088
Echinococcus multilocularis	geminin	0.0205	0.3821	0.543
Echinococcus granulosus	6 phosphofructokinase	0.0131	0.2187	0.2763
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0131	0.2187	0.5
Brugia malayi	Protein kinase domain containing protein	0.0155	0.2715	0.2337
Entamoeba histolytica	protein kinase, putative	0.0482	1	1
Toxoplasma gondii	AGC kinase	0.0452	0.9337	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0155	0.2715	0.3625
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.2187	0.2187
Echinococcus multilocularis	protein kinase c epsilon type	0.0155	0.2715	0.3625
Leishmania major	ATP-dependent phosphofructokinase	0.0131	0.2187	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0155	0.2715	0.3625
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0301	0.5959	0.8918
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.2187	0.3302
Entamoeba histolytica	protein kinase, putative	0.0155	0.2715	0.2715
Brugia malayi	Protein kinase domain containing protein	0.0155	0.2715	0.2337
Brugia malayi	6-phosphofructokinase	0.0131	0.2187	0.1781
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0301	0.5959	0.8918
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0053	0.0088
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2474	0.2084
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0035	0.0053	0.5
Echinococcus multilocularis	protein kinase c iota type	0.0155	0.2715	0.3625
Schistosoma mansoni	hypothetical protein	0.0205	0.3821	0.543
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0155	0.2715	0.3625
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0155	0.2715	0.3625
Brugia malayi	Hr1 repeat family protein	0.0155	0.2715	0.2337
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0155	0.2715	0.3625
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0155	0.2715	0.2337
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0155	0.2715	0.3625
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0297	0.5885	0.8797
Brugia malayi	phosphofructokinase	0.0131	0.2187	0.1781
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Plasmodium vivax	6-phosphofructokinase, putative	0.0035	0.0053	0.0088
Echinococcus granulosus	serine/threonine protein kinase	0.033	0.6622	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0297	0.5885	0.8797
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Brugia malayi	protein kinase C II.	0.0155	0.2715	0.2337
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0297	0.5885	0.8797
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0482	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Entamoeba histolytica	protein kinase, putative	0.0482	1	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0131	0.2187	0.2187
Trypanosoma cruzi	Protein kinase B	0.033	0.6622	1
Echinococcus multilocularis	6 phosphofructokinase	0.0131	0.2187	0.2763
Schistosoma mansoni	atypical protein kinase C	0.0155	0.2715	0.3625
Echinococcus multilocularis	rac serine:threonine kinase	0.033	0.6622	1
Brugia malayi	MH2 domain containing protein	0.0144	0.2474	0.2084
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.2187	0.2187
Trichomonas vaginalis	AGC family protein kinase	0.0155	0.2715	0.2715
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0301	0.5959	0.8999
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0301	0.5959	1
Echinococcus granulosus	geminin	0.0205	0.3821	0.543
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0452	0.9337	0.9303
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.2187	0.2187
Trichomonas vaginalis	AGC family protein kinase	0.0155	0.2715	0.2715
Trichomonas vaginalis	phosphofructokinase, putative	0.0131	0.2187	0.2187
Entamoeba histolytica	PH domain containing protein kinase, putative	0.033	0.6622	0.6622
Toxoplasma gondii	phosphofructokinase PFKII	0.0035	0.0053	0.0056
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0155	0.2715	0.2337
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0035	0.0053	0.0056
Echinococcus granulosus	serine:threonine protein kinase N2	0.0155	0.2715	0.3625
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0155	0.2715	0.3625
Echinococcus multilocularis	nervana 2	0.0297	0.5885	0.8797
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0152	0.2641	0.2641
Brugia malayi	p70 ribosomal S6 kinase beta	0.0452	0.9337	0.9303
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0482	1	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0155	0.2715	0.2337
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.2187	0.2763
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Brugia malayi	6-phosphofructokinase	0.0131	0.2187	0.1781
Trichomonas vaginalis	phosphofructokinase, putative	0.0035	0.0053	0.0053
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.2187	0.1781
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0301	0.5959	1
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0155	0.2715	0.3625
Echinococcus multilocularis	Glutaredoxin protein 5	0.0297	0.5885	0.8797
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0035	0.0053	0.0053
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0155	0.2715	0.2337
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0035	0.0053	0.0053
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0155	0.2715	0.2337
Echinococcus granulosus	protein kinase c iota type	0.0155	0.2715	0.3625
Entamoeba histolytica	protein kinase, putative	0.0452	0.9337	0.9337
Entamoeba histolytica	phosphofructokinase, putative	0.0131	0.2187	0.2187
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.033	0.6622	1
Echinococcus granulosus	protein kinase c epsilon type	0.0155	0.2715	0.3625
Trichomonas vaginalis	AGC family protein kinase	0.0482	1	1
Toxoplasma gondii	6-phosphofructokinase	0.0035	0.0053	0.0056
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0155	0.2715	0.3625
Schistosoma mansoni	serine/threonine kinase	0.0155	0.2715	0.3625
Echinococcus granulosus	Protein kinase C brain isozyme	0.0155	0.2715	0.3625
Loa Loa (eye worm)	6-phosphofructokinase	0.0131	0.2187	0.1781
Loa Loa (eye worm)	phosphofructokinase	0.0131	0.2187	0.1781
Echinococcus granulosus	nervana 2	0.0297	0.5885	0.8797
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0155	0.2715	0.3625
Schistosoma mansoni	6-phosphofructokinase	0.0131	0.2187	0.2763
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0131	0.2187	1
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625
Entamoeba histolytica	PH domain containing protein kinase, putative	0.033	0.6622	0.6622
Loa Loa (eye worm)	hypothetical protein	0.0155	0.2715	0.2337
Schistosoma mansoni	serine/threonine protein kinase	0.0155	0.2715	0.3625

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.2643 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)	7.0795 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	11.9955 uM	PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768]	ChEMBL.	No reference
Potency (functional)	13.4591 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	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)	16.9441 uM	PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768]	ChEMBL.	No reference
Potency (functional)	50.1187 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
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: CHEMBL1314258

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 1236739