TDR Targets

Basic information

Technical information

TDR Targets ID: 1279988
Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulf anyl]-N-(oxolan-2-ylmethyl)propanamide
MW: 346.447 | Formula: C17H22N4O2S
H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(Sc1nnc(n1c1ccccc1)C)C)NCC1CCCO1
InChi: 1S/C17H22N4O2S/c1-12(16(22)18-11-15-9-6-10-23-15)24-17-20-19-13(2)21(17)14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,18,22)
InChiKey: KDRDBNITYNWULF-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-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-tetrahydrofuranylmethyl)propanamide
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(tetrahydrofurfuryl)propionamide
MLS000053689
SMR000064385
T5329403

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	lamin dm0	0.0033	0.0122	0.0259
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0019	0.0009	0.0009
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0019	0.0009	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0364	0.1268
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Schistosoma mansoni	lamin	0.0033	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.4365	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0122	0.0122
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.2802	1
Toxoplasma gondii	hypothetical protein	0.0059	0.0334	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0273	0.0944
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Onchocerca volvulus		0.0033	0.0122	0.0113
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Onchocerca volvulus		0.1257	1	1
Brugia malayi	Protein-tyrosine phosphatase 1	0.0019	0.0009	0.0009
Echinococcus granulosus	intermediate filament protein	0.0033	0.0122	0.0259
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0122	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0019	0.0009	0.0009
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.4365	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0122	0.0122
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Echinococcus granulosus	lamin dm0	0.0033	0.0122	0.0259
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0019	0.0009	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.1252	0.445
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.2802	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.1252	0.445
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Echinococcus granulosus	lamin	0.0033	0.0122	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.2802	1
Onchocerca volvulus		0.1257	1	1
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.4365	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.1409	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0122	0.0122
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Echinococcus multilocularis	musashi	0.0033	0.0122	0.0259
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.1252	0.445
Schistosoma mansoni	lamin	0.0033	0.0122	1
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Giardia lamblia	Protein tyrosine phosphatase	0.0019	0.0009	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Onchocerca volvulus		0.0033	0.0122	0.0113
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1257	1	1
Echinococcus multilocularis	lamin	0.0033	0.0122	0.0259
Trichomonas vaginalis	pten, drome, putative	0.0019	0.0009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0117	0.0117
Brugia malayi	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0273	0.0944
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0273	0.0944
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0122	0.0122
Brugia malayi	Protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	intermediate filament protein	0.0033	0.0122	0.0122
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.2802	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0273	0.0944
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0019	0.0009	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Mycobacterium ulcerans	hypothetical protein	0.0192	0.1409	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0009
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0019	0.0009	0.0009
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0019	0.0009	0.0009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.4365	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0019	0.0009	0.0009

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1391841

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 1279988