TDR Targets

Basic information

Technical information

TDR Targets ID: 1473283
Name: N'-[2-(2,5-dimethylphenoxy)acetyl]-6-oxo-1H-p yridine-3-carbohydrazide
MW: 315.324 | Formula: C16H17N3O4
H donors: 3 H acceptors: 4 LogP: 2.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1cc(C)ccc1C)NNC(=O)c1ccc(nc1)O
InChi: 1S/C16H17N3O4/c1-10-3-4-11(2)13(7-10)23-9-15(21)18-19-16(22)12-5-6-14(20)17-8-12/h3-8H,9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)
InChiKey: FCCOGKBPPSGVFP-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

N'-[2-(2,5-dimethylphenoxy)-1-oxoethyl]-6-oxo-1H-pyridine-3-carbohydrazide
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-keto-1H-pyridine-3-carbohydrazide
N'-[2-(2,5-dimethylphenoxy)ethanoyl]-6-oxo-1H-pyridine-3-carbohydrazide
ZINC03431057
T5279534

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, 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
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	semaphorin 5-related	0.0133	0.2537	0.3133
Brugia malayi	Probable exocyst complex component Sec5	0.0058	0.0097	0.0097
Echinococcus multilocularis	transcription factor collier	0.0058	0.0097	0.0097
Echinococcus multilocularis	hypothetical protein	0.0133	0.2537	0.2537
Schistosoma mansoni	hypothetical protein	0.0133	0.2537	0.3133
Echinococcus multilocularis	exocyst complex component 2	0.0058	0.0097	0.0097
Brugia malayi	IPT/TIG domain containing protein	0.0058	0.0097	0.0097
Schistosoma mansoni	plexin	0.017	0.3755	0.4638
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Brugia malayi	Sema domain containing protein	0.0133	0.2537	0.2537
Loa Loa (eye worm)	sema domain-containing protein	0.0133	0.2537	0.2537
Schistosoma mansoni	hypothetical protein	0.0058	0.0097	0.012
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0058	0.0097	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0058	0.0097	0.5
Schistosoma mansoni	hypothetical protein	0.0133	0.2537	0.3133
Echinococcus granulosus	transcription factor collier	0.0058	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Loa Loa (eye worm)	sema domain-containing protein	0.0133	0.2537	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Loa Loa (eye worm)	hypothetical protein	0.017	0.3755	0.3755
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0058	0.0097	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0074	0.0606	1
Echinococcus granulosus	exocyst complex component 2	0.0058	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0097	0.0097
Brugia malayi	hypothetical protein	0.0133	0.2537	0.2537
Echinococcus granulosus	plexin a4	0.0361	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Echinococcus granulosus	semaphorin 5B	0.0133	0.2537	0.2537
Onchocerca volvulus		0.0303	0.8098	1
Brugia malayi	Sema domain containing protein	0.0133	0.2537	0.2537
Brugia malayi	DNA-binding protein LAG-1	0.0058	0.0097	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0097	0.0097
Echinococcus granulosus	semaphorin 1A	0.0133	0.2537	0.2537
Schistosoma mansoni	hypothetical protein	0.0058	0.0097	0.012
Loa Loa (eye worm)	hypothetical protein	0.0303	0.8098	0.8098
Echinococcus multilocularis	semaphorin 5B	0.0133	0.2537	0.2537
Brugia malayi	Plexin repeat family protein	0.0303	0.8098	0.8098
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0058	0.0097	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0058	0.0097	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Brugia malayi	hypothetical protein	0.0133	0.2537	0.2537
Schistosoma mansoni	plexin	0.0303	0.8098	1
Echinococcus multilocularis	plexin a4	0.0361	1	1
Schistosoma mansoni	hypothetical protein	0.017	0.3755	0.4638
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Schistosoma mansoni	fibrocystin l	0.0058	0.0097	0.012
Loa Loa (eye worm)	hypothetical protein	0.0133	0.2537	0.2537
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0097	0.5
Loa Loa (eye worm)	plexin A	0.0361	1	1
Entamoeba histolytica	tyrosin kinase, putative	0.0074	0.0606	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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: CHEMBL1525913

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 1473283