TDR Targets

Basic information

Technical information

TDR Targets ID: 1484197
Name: 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]su lfanyl]-N-(oxolan-2-ylmethyl)propanamide
MW: 362.447 | Formula: C17H22N4O3S
H donors: 1 H acceptors: 3 LogP: 2.05 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1n1cnnc1SC(C(=O)NCC1CCCO1)C
InChi: 1S/C17H22N4O3S/c1-12(16(22)18-10-13-6-5-9-24-13)25-17-20-19-11-21(17)14-7-3-4-8-15(14)23-2/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,18,22)
InChiKey: HALIEASLPQGYRQ-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-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-tetrahydrofuranylmethyl)propanamide
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(tetrahydrofurfuryl)propionamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

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
Leishmania major	cysteine peptidase A (CPA)	0.0235	0.4239	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Onchocerca volvulus		0.0286	0.559	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0235	0.4239	0.3298
Brugia malayi	Cathepsin L-like precursor	0.0161	0.2306	0.2306
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0235	0.4239	0.3298
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0127	0.1404	0.1404
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0127	0.1404	0.1404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Echinococcus granulosus	cathepsin b	0.0454	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0235	0.4239	0.4239
Entamoeba histolytica	cysteine protease, putative	0.0235	0.4239	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0235	0.4239	1
Onchocerca volvulus		0.0235	0.4239	0.5887
Echinococcus multilocularis	cathepsin b	0.0454	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0127	0.1404	0.1404
Loa Loa (eye worm)	cysteine protease	0.0235	0.4239	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trypanosoma cruzi	cysteine protease, putative	0.0127	0.1404	0.1404
Echinococcus multilocularis	cysteine protease	0.0235	0.4239	0.3298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0235	0.4239	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0454	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0235	0.4239	0.3298
Onchocerca volvulus		0.0235	0.4239	0.5887
Trypanosoma cruzi	cysteine peptidase, putative	0.0235	0.4239	0.4239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0235	0.4239	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Echinococcus multilocularis	cysteine protease	0.0235	0.4239	0.3298
Plasmodium vivax	vivapain-2	0.0235	0.4239	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.4677	0.4677
Brugia malayi	Cathepsin L-like precursor	0.0161	0.2306	0.2306
Brugia malayi	Papain family cysteine protease containing protein	0.0127	0.1404	0.1404
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2306	0.2306
Plasmodium vivax	vivapain-3	0.0127	0.1404	0.3313
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Entamoeba histolytica	cysteine proteinase, putative	0.0235	0.4239	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0235	0.4239	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2306	0.2306
Onchocerca volvulus		0.0235	0.4239	0.5887
Trypanosoma cruzi	cysteine proteinase, putative	0.0127	0.1404	0.1404
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0177	0.2728	0.3162
Onchocerca volvulus		0.0235	0.4239	0.5887
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Echinococcus granulosus	cathepsin l1	0.0161	0.2306	0.1049
Echinococcus multilocularis	cathepsin b	0.0454	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Loa Loa (eye worm)	hypothetical protein	0.0454	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0235	0.4239	0.3298
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0235	0.4239	0.4239
Giardia lamblia	Cathepsin B precursor	0.0177	0.2728	0.5
Onchocerca volvulus		0.0235	0.4239	0.5887
Giardia lamblia	Cathepsin B precursor	0.0177	0.2728	0.5
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0161	0.2306	0.2306
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0235	0.4239	0.4239
Entamoeba histolytica	cysteine proteinase, putative	0.0235	0.4239	1
Plasmodium vivax	vivapain-2	0.0235	0.4239	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0454	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0235	0.4239	0.5887
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.2728	0.2728
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0235	0.4239	0.3298
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Schistosoma mansoni	cathepsin F (C01 family)	0.0235	0.4239	0.4239
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0235	0.4239	0.4239
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0177	0.2728	0.2728
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2306	0.2306
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0177	0.2728	0.4669
Schistosoma mansoni	cathepsin F (C01 family)	0.0161	0.2306	0.2306
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Onchocerca volvulus	Cathepsin L homolog	0.0235	0.4239	0.5887
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0161	0.2306	0.2306
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Brugia malayi	Papain family cysteine protease containing protein	0.0235	0.4239	0.4239
Giardia lamblia	Cathepsin B precursor	0.0177	0.2728	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0161	0.2306	0.3182
Plasmodium vivax	vivapain-1	0.0127	0.1404	0.3313
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Brugia malayi	Papain family cysteine protease containing protein	0.0127	0.1404	0.1404
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0127	0.1404	0.1404
Loa Loa (eye worm)	cathepsin B	0.0177	0.2728	0.2728
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0235	0.4239	0.4239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Echinococcus granulosus	cathepsin l1	0.0235	0.4239	0.3298
Onchocerca volvulus		0.0235	0.4239	0.5887
Plasmodium vivax	unspecified product	0.0127	0.1404	0.3313
Echinococcus multilocularis	cathepsin L cysteine protease	0.0235	0.4239	0.3298
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0235	0.4239	0.6773
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.559	1
Onchocerca volvulus	Cathepsin L homolog	0.0235	0.4239	0.5887
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0235	0.4239	1
Onchocerca volvulus		0.0235	0.4239	0.5887
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0161	0.2306	0.2155
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Loa Loa (eye worm)	ctsf protein	0.0235	0.4239	0.4239
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0454	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0454	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.1404	0.1404
Trypanosoma cruzi	cysteine proteinase, putative	0.0127	0.1404	0.1404
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0454	1	1
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.4677	0.4677
Brugia malayi	cathepsin L-like precursor	0.0161	0.2306	0.2306
Echinococcus granulosus	cathepsin b	0.0454	1	1
Toxoplasma gondii	cathepsin CPL	0.0235	0.4239	1
Loa Loa (eye worm)	fibroinase	0.0235	0.4239	0.4239
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0235	0.4239	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0235	0.4239	0.6773
Leishmania major	cathepsin L-like protease	0.0235	0.4239	1
Brugia malayi	Cathepsin L-like precursor	0.0235	0.4239	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0235	0.4239	0.6773
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0161	0.2306	0.2155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0235	0.4239	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.5849 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

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: CHEMBL1714425

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 1484197