TDR Targets

Basic information

Technical information

TDR Targets ID: 1407859
Name: N-(3-acetylphenyl)-2-[(5-pyridin-3-yl-1,3,4-o xadiazol-2-yl)sulfanyl]acetamide
MW: 354.383 | Formula: C17H14N4O3S
H donors: 1 H acceptors: 5 LogP: 1.77 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc(c1)C(=O)C)CSc1nnc(o1)c1cccnc1
InChi: 1S/C17H14N4O3S/c1-11(22)12-4-2-6-14(8-12)19-15(23)10-25-17-21-20-16(24-17)13-5-3-7-18-9-13/h2-9H,10H2,1H3,(H,19,23)
InChiKey: CFXQZIPFXTYNPY-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-(3-acetylphenyl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
N-(3-acetylphenyl)-2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
N-(3-ethanoylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide
ZINC04954341
SMR000119209
MLS000121760
BAS 01890392
N-(3-Acetyl-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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
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
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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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

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
Loa Loa (eye worm)	cathepsin B	0.007	0.1427	0.1427
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0141	0.8054	0.8054
Giardia lamblia	Cathepsin B precursor	0.007	0.1427	0.5
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Entamoeba histolytica	cysteine proteinase, putative	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0075	0.1831	0.0472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1831	0.061
Trypanosoma cruzi	cysteine proteinase, putative	0.0075	0.1831	0.0472
Echinococcus granulosus	cathepsin l1	0.0096	0.3811	0.3811
Loa Loa (eye worm)	hypothetical protein	0.0141	0.8054	0.8054
Echinococcus multilocularis	cysteine protease	0.0141	0.8054	0.8054
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0141	0.8054	0.8054
Echinococcus granulosus	cathepsin l1	0.0141	0.8054	0.8054
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Echinococcus multilocularis	cathepsin L	0.0075	0.1831	0.1831
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Entamoeba histolytica	cysteine protease, putative	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.8054	0.7731
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Onchocerca volvulus		0.0141	0.8054	1
Onchocerca volvulus		0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0096	0.3811	0.3811
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0075	0.1831	0.1831
Schistosoma mansoni	cathepsin F (C01 family)	0.0141	0.8054	0.8054
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.8054	0.7731
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Loa Loa (eye worm)	fibroinase	0.0141	0.8054	0.8054
Echinococcus granulosus	cysteine protease	0.0075	0.1831	0.1831
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Onchocerca volvulus		0.0141	0.8054	1
Loa Loa (eye worm)	ctsf protein	0.0141	0.8054	0.8054
Entamoeba histolytica	cysteine proteinase, putative	0.0096	0.3811	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Onchocerca volvulus		0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0075	0.1831	0.1831
Brugia malayi	Papain family cysteine protease containing protein	0.0141	0.8054	0.8054
Loa Loa (eye worm)	hypothetical protein	0.0096	0.3811	0.3811
Echinococcus multilocularis	cathepsin L cysteine protease	0.0141	0.8054	0.8054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0141	0.8054	0.8054
Onchocerca volvulus	Cathepsin L homolog	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0075	0.1831	0.061
Echinococcus multilocularis	cathepsin L cysteine protease	0.0141	0.8054	0.8054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0096	0.3811	0.2781
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Brugia malayi	cathepsin L-like precursor	0.0096	0.3811	0.3811
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0141	0.8054	0.8054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.8054	0.7731
Trypanosoma cruzi	cruzipain precursor, putative	0.0141	0.8054	0.7731
Loa Loa (eye worm)	hypothetical protein	0.0096	0.3811	0.3811
Giardia lamblia	Cathepsin B precursor	0.007	0.1427	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.3811	0.3598
Onchocerca volvulus		0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0096	0.3811	0.3598
Entamoeba histolytica	cysteine proteinase, putative	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1831	0.061
Leishmania major	cysteine peptidase A (CPA)	0.0141	0.8054	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.3811	0.3811
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Echinococcus multilocularis	cysteine protease	0.0141	0.8054	0.8054
Schistosoma mansoni	cathepsin F (C01 family)	0.0141	0.8054	0.8054
Brugia malayi	Cathepsin L-like precursor	0.0096	0.3811	0.3811
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.8054	0.7731
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0075	0.1831	0.061
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1831	0.0472
Brugia malayi	Cathepsin L-like precursor	0.0096	0.3811	0.3811
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Leishmania major	cathepsin L-like protease	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0141	0.8054	0.8054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0141	0.8054	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0141	0.8054	0.8054
Onchocerca volvulus		0.0141	0.8054	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0075	0.1831	0.1831
Giardia lamblia	Cathepsin B precursor	0.007	0.1427	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Onchocerca volvulus	Cathepsin L homolog	0.0141	0.8054	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0096	0.3811	0.3811
Trypanosoma cruzi	cysteine protease, putative	0.0075	0.1831	0.0472
Plasmodium vivax	vivapain-2	0.0141	0.8054	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0075	0.1831	0.0472
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0075	0.1831	0.1831
Plasmodium vivax	vivapain-2	0.0141	0.8054	1
Loa Loa (eye worm)	cysteine protease	0.0141	0.8054	0.8054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.007	0.1427	0.1427
Echinococcus granulosus	cathepsin L	0.0075	0.1831	0.1831
Brugia malayi	Papain family cysteine protease containing protein	0.0075	0.1831	0.1831
Brugia malayi	Papain family cysteine protease containing protein	0.0075	0.1831	0.1831
Toxoplasma gondii	cathepsin CPL	0.0141	0.8054	1
Onchocerca volvulus		0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1
Brugia malayi	Cathepsin L-like precursor	0.0141	0.8054	0.8054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.8054	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.8054	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.8054	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.2643 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	8.9125 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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1543184

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 1407859