TDR Targets

Basic information

Technical information

TDR Targets ID: 1404823
Name: 5-(2-methylfuran-3-yl)-4-prop-2-enyl-2H-1,2,4 -triazole-3-thione
MW: 221.279 | Formula: C10H11N3OS
H donors: 0 H acceptors: 2 LogP: 1.78 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(S)nnc1c1ccoc1C
InChi: 1S/C10H11N3OS/c1-3-5-13-9(11-12-10(13)15)8-4-6-14-7(8)2/h3-4,6H,1,5H2,2H3,(H,12,15)
InChiKey: DSXUGTKLONYCDV-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

4-allyl-5-(2-methyl-3-furyl)-2H-1,2,4-triazole-3-thione
MLS000565281
SMR000152512
4-allyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazole-3-thiol
AK-968/41923609
ZINC00374525
IVK/1026181

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	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
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
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

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
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0108	0.0108
Onchocerca volvulus		0.0037	0.0043	0.002
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0043	0.0043
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0042	0.0042
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0043	0.0842
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0175	0.0175
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.0035	0.004	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.0175	0.0175
Entamoeba histolytica	hypothetical protein	0.0035	0.004	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0043	0.0043
Onchocerca volvulus		0.0037	0.0043	0.002
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.004	0.004
Brugia malayi	beta-lactamase	0.0037	0.0043	0.0043
Brugia malayi	hypothetical protein	0.0035	0.004	0.004
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0047	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.0643	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.004	0.004
Trypanosoma cruzi	Aph-1 protein, putative	0.1629	0.387	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.012	0.0244	0.0244
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.012	0.0244	0.0244
Brugia malayi	RNA binding protein	0.0063	0.0108	0.0108
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0043	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0108	0.0108
Onchocerca volvulus	Huntingtin homolog	0.012	0.0244	0.336
Brugia malayi	latrophilin 2 splice variant baaae	0.0101	0.0197	0.0197
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0108	0.0108
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0043	0.0112
Echinococcus granulosus	geminin	0.0165	0.0352	0.0352
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0175	0.0175
Brugia malayi	hypothetical protein	0.012	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Onchocerca volvulus	Huntingtin homolog	0.012	0.0244	0.336
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0068	0.0068
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0043	0.0842
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.0035	0.004	1
Schistosoma mansoni	hypothetical protein	0.0101	0.0197	0.0197
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0068	0.0068
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.0516	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0042	0.0042
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0147	0.0309	0.0309
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.2308	0.2308
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0043	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.0559	0.0559
Trypanosoma cruzi	Aph-1 protein, putative	0.1629	0.387	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0042	0.0042
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.0175	0.0175
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0043	0.0842
Schistosoma mansoni	hypothetical protein	0.0047	0.0068	0.0068
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0108	0.0108
Trypanosoma brucei	Aph-1 protein, putative	0.1629	0.387	1
Brugia malayi	TAR-binding protein	0.0063	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0197	0.0197
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0043	0.0842
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0043	0.0112
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0108	0.0108
Onchocerca volvulus		0.0286	0.0643	1
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0108	0.0108
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0043	0.0677
Mycobacterium ulcerans	lipase LipD	0.0037	0.0043	1
Onchocerca volvulus		0.0037	0.0043	0.002
Schistosoma mansoni	hypothetical protein	0.0047	0.0068	0.0068
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0042	0.0042
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0043	0.0842
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0165	0.0352	0.0352
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0043	0.0842
Schistosoma mansoni	hypothetical protein	0.0047	0.0068	0.0068
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0175	0.0175
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0042	0.0042
Brugia malayi	beta-lactamase family protein	0.0037	0.0043	0.0043
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0039	0.0039
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0043	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0147	0.0309	0.0309
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0035	0.004	0.004
Echinococcus multilocularis	geminin	0.0165	0.0352	0.0352
Toxoplasma gondii	ABC1 family protein	0.0037	0.0043	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0108	0.0108
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0043	0.0043
Plasmodium vivax	SET domain protein, putative	0.0036	0.0042	0.973
Entamoeba histolytica	hypothetical protein	0.0035	0.004	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0043	0.0043
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0108	0.0108
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0175	0.0175
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0043	0.0842
Echinococcus granulosus	GPCR family 2	0.0047	0.0068	0.0068
Brugia malayi	beta-lactamase family protein	0.0037	0.0043	0.0043
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0042	0.0042
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0042	0.0042
Schistosoma mansoni	hypothetical protein	0.0165	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0043	0.0043
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0043	0.0677
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0043	0.0842
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0043	0.0043
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0108	0.0108
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0043	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0043	0.0677
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0175	0.0175
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0043	0.0842
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0043	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0068	0.0068
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0068	0.0068
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0043	0.0677
Brugia malayi	Pre-SET motif family protein	0.0251	0.0559	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0309	0.0309
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0043	0.0043
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0068	0.0068
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0042	0.973
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0147	0.0309	0.0309
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0175	0.0175
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0043	0.0677
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0068	0.0068
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0043	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.004	0.004
Leishmania major	hypothetical protein, conserved	0.0037	0.0043	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0043	0.0842
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0043	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0043	0.0677
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0108	0.0108

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2995 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	1.9953 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)	= 7.0795 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1544768

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1404823