TDR Targets

Basic information

Technical information

TDR Targets ID: 953736
Name: 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-p henylacetamide
MW: 284.336 | Formula: C14H12N4OS
H donors: 2 H acceptors: 3 LogP: 2.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1)CSc1nc2c([nH]1)nccc2
InChi: 1S/C14H12N4OS/c19-12(16-10-5-2-1-3-6-10)9-20-14-17-11-7-4-8-15-13(11)18-14/h1-8H,9H2,(H,16,19)(H,15,17,18)
InChiKey: INMOOWHUBVPCQB-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

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-phenyl-acetamide
2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-N-phenylacetamide
2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-N-phenyl-acetamide
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-phenyl-ethanamide
ZINC00141612
Oprea1_157527
2-(3H-Imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-phenyl-acetamide
A2816/0119022

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0041	0.9996	0.9996
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Schistosoma mansoni	semaphorin 5-related	0.0008	0.1165	0.1165
Brugia malayi	plexin A	0.0022	0.4961	1
Entamoeba histolytica	protein kinase, putative	0.0041	1	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0003	0	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0003	0	0.5
Schistosoma mansoni	plexin	0.0019	0.4053	0.4053
Loa Loa (eye worm)	plexin A	0.0022	0.4961	1
Echinococcus granulosus	semaphorin 5B	0.0008	0.1165	0.1165
Loa Loa (eye worm)	sema domain-containing protein	0.0008	0.1165	0.2348
Entamoeba histolytica	tyrosin kinase, putative	0.0004	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Echinococcus multilocularis	semaphorin 5B	0.0008	0.1165	0.1165
Brugia malayi	Plexin repeat family protein	0.0019	0.4053	0.8169
Entamoeba histolytica	protein kinase domain containing protein	0.0004	0.0243	0.0243
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0041	0.9996	0.9996
Onchocerca volvulus		0.0019	0.4053	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0019	0.4053	0.8169
Echinococcus multilocularis	hypothetical protein	0.0008	0.1165	0.1165
Schistosoma mansoni	hypothetical protein	0.0008	0.1165	0.1165
Echinococcus granulosus	semaphorin 1A	0.0008	0.1165	0.1165
Echinococcus granulosus	plexin a4	0.0022	0.4961	0.4961
Brugia malayi	Sema domain containing protein	0.0008	0.1165	0.2348
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0041	1	1
Schistosoma mansoni	plexin	0.0011	0.198	0.198
Loa Loa (eye worm)	hypothetical protein	0.0011	0.198	0.3991
Schistosoma mansoni	hypothetical protein	0.0008	0.1165	0.1165
Entamoeba histolytica	protein kinase, putative	0.0041	1	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Brugia malayi	hypothetical protein	0.0008	0.1165	0.2348
Schistosoma mansoni	hypothetical protein	0.0011	0.198	0.198
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Brugia malayi	Sema domain containing protein	0.0008	0.1165	0.2348
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Echinococcus multilocularis	plexin a4	0.0022	0.4961	0.4961
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0003	0	0.5
Brugia malayi	hypothetical protein	0.0008	0.1165	0.2348
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Loa Loa (eye worm)	sema domain-containing protein	0.0008	0.1165	0.2348
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0003	0	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.1165	0.2348
Schistosoma mansoni	serine/threonine protein kinase	0.0041	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 30 %	Inhibition of human NPP1 using p-Nph-5'-TMP as substrate at 10 uM	ChEMBL.	25372276

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: CHEMBL3360856

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 953736