TDR Targets

Basic information

Technical information

TDR Targets ID: 1426841
Name: N-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
MW: 231.251 | Formula: C12H13N3O2
H donors: 1 H acceptors: 3 LogP: 1.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)Nc1nnc(o1)c1ccccc1
InChi: 1S/C12H13N3O2/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)
InChiKey: POKGJDRCDVRGQK-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-(5-phenyl-1,3,4-oxadiazol-2-yl)butyramide
MLS000419483
SMR000320191
ZINC04276195

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	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
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
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
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
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

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
Brugia malayi	MH2 domain containing protein	0.0017	0.0169	0.0169
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1674	0.5896
Loa Loa (eye worm)	transcription factor SMAD2	0.0243	0.8977	0.8977
Brugia malayi	MH1 domain containing protein	0.0017	0.0169	0.0169
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0053	0.1569	0.5526
Echinococcus multilocularis	isocitrate dehydrogenase	0.0053	0.1569	0.5526
Brugia malayi	Latrophilin receptor protein 2	0.0085	0.284	0.284
Brugia malayi	MH2 domain containing protein	0.0243	0.8977	0.8977
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0169	0.0169
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0269	1	1
Echinococcus granulosus	smad	0.0017	0.0169	0.0596
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.006	0.185	0.6515
Schistosoma mansoni	hypothetical protein	0.0085	0.284	0.4247
Brugia malayi	Isocitrate dehydrogenase	0.0053	0.1569	0.1569
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0085	0.284	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0053	0.1569	0.1569
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0169	0.0596
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0169	0.0596
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0269	1	1
Brugia malayi	MH1 domain containing protein	0.0017	0.0169	0.0169
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0053	0.1569	0.5
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0053	0.1569	0.2347
Schistosoma mansoni	Smad4	0.0017	0.0169	0.0253
Schistosoma mansoni	hypothetical protein	0.0085	0.284	0.4247
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1674	0.5896
Schistosoma mansoni	smad	0.0017	0.0169	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0184	0.6686	0.6686
Brugia malayi	MH2 domain containing protein	0.0017	0.0169	0.0169
Schistosoma mansoni	glycosyltransferase-related	0.0081	0.2658	0.3976
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0	0.5
Echinococcus multilocularis	conserved hypothetical protein	0.006	0.185	0.6515
Loa Loa (eye worm)	hypothetical protein	0.0085	0.284	0.284
Echinococcus granulosus	Glycosyl transferase family 8	0.0081	0.2658	0.9362
Echinococcus multilocularis	smad	0.0017	0.0169	0.0596
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0053	0.1569	0.5526
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0085	0.284	1
Echinococcus granulosus	GPCR family 2	0.0085	0.284	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0085	0.284	0.284
Brugia malayi	isocitrate dehydrogenase	0.0053	0.1569	0.1569
Toxoplasma gondii	isocitrate dehydrogenase	0.0053	0.1569	0.5
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.1569	0.5
Loa Loa (eye worm)	Smad1	0.0017	0.0169	0.0169
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0053	0.1569	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1674	0.1674
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0081	0.2658	0.2658
Brugia malayi	latrophilin 2 splice variant baaae	0.0184	0.6686	0.6686
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1674	0.2504
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0169	0.0253
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0085	0.284	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0243	0.8977	0.8977
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0169	0.0169
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0169	0.0253
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0078	0.2559	0.9011
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0085	0.284	0.284
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0053	0.1569	0.5
Loa Loa (eye worm)	hypothetical protein	0.0269	1	1
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.006	0.185	0.6515
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0333	0.0333
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0053	0.1569	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0085	0.284	1
Brugia malayi	Glycosyl transferase family 8 protein	0.0081	0.2658	0.2658
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1674	0.2504
Echinococcus multilocularis	Smad4	0.0017	0.0169	0.0596
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.1569	0.5526
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0169	0.0596
Brugia malayi	Smad1	0.0017	0.0169	0.0169
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0081	0.2658	0.9362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1674	0.1674
Brugia malayi	AT16019p	0.0021	0.0333	0.0333
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.1569	0.5
Schistosoma mansoni	hypothetical protein	0.0085	0.284	0.4247
Echinococcus granulosus	Smad4	0.0017	0.0169	0.0596
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0078	0.2559	0.9011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1674	0.5896
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0053	0.1569	0.5
Onchocerca volvulus		0.0012	0	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.1569	0.5526
Toxoplasma gondii	isocitrate dehydrogenase	0.0053	0.1569	0.5
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0169	0.0253
Schistosoma mansoni	hypothetical protein	0.0085	0.284	0.4247
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0	0.5
Schistosoma mansoni	hypothetical protein	0.0184	0.6686	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.1569	0.5526
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0078	0.2559	0.9011
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0078	0.2559	0.9011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1674	0.5896
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.1569	0.5
Echinococcus multilocularis	GPCR, family 2	0.0085	0.284	1
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0169	0.0253
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1674	0.2504
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0169	0.0596

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No 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)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1556047

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 1426841