TDR Targets

Basic information

Technical information

TDR Targets ID: 1453153
Name: N-(2-chlorophenyl)-2-[[5-[2-(5-methylfuran-2- yl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfany l]acetamide
MW: 452.956 | Formula: C23H21ClN4O2S
H donors: 1 H acceptors: 3 LogP: 5.21 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1Cl)CSc1nnc(n1c1ccccc1)CCc1ccc(o1)C
InChi: 1S/C23H21ClN4O2S/c1-16-11-12-18(30-16)13-14-21-26-27-23(28(21)17-7-3-2-4-8-17)31-15-22(29)25-20-10-6-5-9-19(20)24/h2-12H,13-15H2,1H3,(H,25,29)
InChiKey: QQVKEHVQPNBDRN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(2-chlorophenyl)-2-[[5-[2-(5-methyl-2-furyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
N-(2-chlorophenyl)-2-[[5-[2-(5-methyl-2-furyl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
N-(2-chlorophenyl)-2-[[5-[2-(5-methylfuran-2-yl)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MLS000581484
N-(2-chlorophenyl)-2-({5-[2-(5-methyl-2-furyl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}thio)acetamide
SMR000200111
STOCK4S-45900

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0808	0.0814
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0808	1
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0808	0.1266
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4893	0.7663
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0808	0.0814
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0162	0.6385	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0808	0.0808
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0808	0.0814
Trichomonas vaginalis	esterase, putative	0.0038	0.0808	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.7231	0.7231
Toxoplasma gondii	ABC1 family protein	0.0038	0.0808	0.1266
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0106	0.3881	0.5368
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0808	0.1118
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0808	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0162	0.6385	0.8831
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	1
Brugia malayi	Muscleblind-like protein	0.018	0.7231	0.7231
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	1
Brugia malayi	TAR-binding protein	0.0128	0.4893	0.4893
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0056	0.1621	0.2538
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0808	0.0814
Toxoplasma gondii	hypothetical protein	0.0056	0.1621	0.2538
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0106	0.3881	0.391
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0162	0.6385	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0056	0.1621	0.2538
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0162	0.6385	0.8831
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1824	0.1824
Brugia malayi	beta-lactamase family protein	0.0038	0.0808	0.0808
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0808	0.0814
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4893	0.7663
Schistosoma mansoni	peptidase Clp (S14 family)	0.0162	0.6385	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0106	0.3881	0.391
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Schistosoma mansoni	hypothetical protein	0.0041	0.0967	0.1515
Mycobacterium ulcerans	lipase LipD	0.0038	0.0808	0.1266
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0808	0.1118
Brugia malayi	RNA binding protein	0.0128	0.4893	0.4893
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.4893	0.6768
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0808	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0967	0.0967
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0808	0.1266
Echinococcus granulosus	muscleblind protein	0.018	0.7231	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0242	1	1
Brugia malayi	Probable ClpP-like protease	0.0162	0.6385	0.6385
Onchocerca volvulus		0.0038	0.0808	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0106	0.3881	0.551
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0808	0.0814
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0808	1
Brugia malayi	beta-lactamase	0.0038	0.0808	0.0808
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0808	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0162	0.6385	0.6385
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0056	0.1621	0.1457
Leishmania major	hypothetical protein, conserved	0.0038	0.0808	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0808	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0808	0.1266
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0808	0.0814
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1824	0.1824
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0056	0.1621	0.2538
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0967	0.0967
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0808	0.1266
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4893	0.7663
Echinococcus multilocularis	muscleblind protein 1	0.018	0.7231	1
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.4893	0.4893
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0162	0.6385	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.9926	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0808	0.0808
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4893	0.7663
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.4893	0.4893
Echinococcus multilocularis	muscleblind protein	0.018	0.7231	1
Echinococcus granulosus	peptidase Clp S14 family	0.0106	0.3881	0.5368
Onchocerca volvulus		0.0038	0.0808	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0808	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1824	0.1824
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.4893	0.4893
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0808	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Loa Loa (eye worm)	hypothetical protein	0.006	0.1824	0.1824
Onchocerca volvulus		0.0038	0.0808	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0808	1
Loa Loa (eye worm)	RNA binding protein	0.0128	0.4893	0.4893
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0808	0.0808
Loa Loa (eye worm)	hypothetical protein	0.018	0.7231	0.7231
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0808	0.0814
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0808	0.0808
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0808	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0808	0.0814
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.4893	0.7663
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0162	0.6385	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0808	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0162	0.6385	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0808	0.1266
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0808	0.0808
Echinococcus granulosus	tar DNA binding protein	0.0128	0.4893	0.6768

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	3.1623 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 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)	28.1838 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)	29.0929 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 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)	= 35.4813 um	PUBCHEM_BIOASSAY: 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 binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	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)	39.8107 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 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: CHEMBL1586204

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 1453153