TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.401 | Formula: C18H15FN4OS
H donors: 3 H acceptors: 2 LogP: 3.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cccc(c1)NC(=O)c1cc(Sc2ccccn2)c(cc1N)F
InChi: 1S/C18H15FN4OS/c19-14-10-15(21)13(9-16(14)25-17-6-1-2-7-22-17)18(24)23-12-5-3-4-11(20)8-12/h1-10H,20-21H2,(H,23,24)
InChiKey: HWRSFSUILBZZTM-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
Oryctolagus cuniculus	Glycogen phosphorylase, muscle form	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	Glycosyl transferase family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	Glycogen phosphorylase, brain form, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Brugia malayi	carbohydrate phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Loa Loa (eye worm)	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Onchocerca volvulus	Glycogen phosphorylase homolog	Get druggable targets OG5_126999	All targets in OG5_126999
Neospora caninum	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Giardia lamblia	Glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	Glycosyl transferase, family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium parvum	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium hominis	glycogen phosphorylase 1	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Chlamydia trachomatis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Glycogen phosphorylase, muscle form	843 aa	840 aa	70.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0173	0.707	1
Schistosoma mansoni	hypothetical protein	0.0173	0.707	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.5159	1
Echinococcus multilocularis	smad	0.0016	0.0004	0.0005
Echinococcus granulosus	geminin	0.0173	0.707	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.5159	1
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.5159	0.7297
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0709	0.1003
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.3813	0.3813
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0004	0.0004
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0709	0.0709
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0433	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0138	0.3197
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0056	0.1818	1
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.5159	0.7297
Echinococcus granulosus	glycogen phosphorylase	0.013	0.5159	0.7297
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.3813	0.3813
Chlamydia trachomatis	glycogen phosphorylase	0.013	0.5159	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0433	1
Echinococcus granulosus	Smad4	0.0016	0.0004	0.0005
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0138	0.0138
Brugia malayi	MH2 domain containing protein	0.0016	0.0004	0.0004
Brugia malayi	Smad1	0.0016	0.0004	0.0004
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0004	0.0005
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.2376	0.2376
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0433	0.0433
Echinococcus multilocularis	geminin	0.0173	0.707	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0709	0.1003
Brugia malayi	hypothetical protein	0.0017	0.0022	0.0022
Schistosoma mansoni	hypothetical protein	0.0069	0.2376	0.3361
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0433	1
Brugia malayi	carbohydrate phosphorylase	0.013	0.5159	0.5159
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0138	0.5
Echinococcus granulosus	GPCR family 2	0.0032	0.0709	0.1003
Brugia malayi	MH1 domain containing protein	0.0016	0.0004	0.0004
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0138	0.3197
Schistosoma mansoni	ap endonuclease	0.0019	0.0138	0.0196
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0709	0.1003
Onchocerca volvulus	Glycogen phosphorylase homolog	0.013	0.5159	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0.0709	0.1003
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0004	0.0005
Schistosoma mansoni	smad	0.0016	0.0004	0.0005
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0709	0.0709
Toxoplasma gondii	exonuclease III APE	0.0019	0.0138	0.3197
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0004	0.0005
Schistosoma mansoni	hypothetical protein	0.0032	0.0709	0.1003
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0138	0.3197
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0004	0.0005
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0138	0.0761
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0138	0.0196
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0138	0.3197
Echinococcus granulosus	smad	0.0016	0.0004	0.0005
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0004	0.0005
Schistosoma mansoni	ap endonuclease	0.0019	0.0138	0.0196
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0709	0.1003
Echinococcus granulosus	glycogen phosphorylase	0.013	0.5159	0.7297
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0709	0.0709
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0433	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.3813	0.3813
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0138	0.3197
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2376	0.2376
Schistosoma mansoni	hypothetical protein	0.0032	0.0709	0.1003
Echinococcus multilocularis	Glycosyl transferase, family 35	0.013	0.5159	0.7297
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0004	0.0005
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0056	0.1818	1
Schistosoma mansoni	Smad4	0.0016	0.0004	0.0005
Echinococcus granulosus	Glycosyl transferase family 35	0.013	0.5159	0.7297
Echinococcus multilocularis	Smad4	0.0016	0.0004	0.0005
Schistosoma mansoni	glycogen phosphorylase	0.013	0.5159	0.7297
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1818	0.3345
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0138	0.0138
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0138	0.0196
Schistosoma mansoni	glycogen phosphorylase	0.0056	0.1818	0.2571
Brugia malayi	hypothetical protein	0.0026	0.0433	0.0433
Schistosoma mansoni	glycogen phosphorylase	0.013	0.5159	0.7297
Brugia malayi	MH2 domain containing protein	0.0016	0.0004	0.0004
Entamoeba histolytica	glycogenphosphorylase, putative	0.0056	0.1818	0.3345
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1818	0.3345
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0138	0.3197
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0004	0.0005
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0004	0.0005
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0433	1
Loa Loa (eye worm)	Smad1	0.0016	0.0004	0.0004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0709	0.0709
Leishmania major	hypothetical protein, conserved	0.0026	0.0433	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0709	0.1003
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0709	0.1003
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0433	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.5159	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0433	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0004	0.0004
Giardia lamblia	Glycogen phosphorylase	0.013	0.5159	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.3813	0.3813
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0004	0.0004
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.5159	1
Loa Loa (eye worm)	glycogen phosphorylase	0.013	0.5159	0.5159
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0138	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
FC (binding)	= 1.12	Activation of human glucokinase expressed in Escherichia coli BL21(DE3) at 10 uM by G6PDH-coupled spectrometry relative to untreated control	ChEMBL.	19758809
IC50 (binding)	= 10.6 uM	Inhibition of rabbit muscle glycogen phosphorylase a assessed as glucose-1-phosphate release	ChEMBL.	19758809

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: CHEMBL592914

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1090674