TDR Targets

Basic information

Technical information

TDR Targets ID: 368178
Name: N-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2, 4-triazol-3-yl)sulfanyl]acetamide
MW: 358.845 | Formula: C17H15ClN4OS
H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1Cl)CSc1nnc(n1c1ccccc1)C
InChi: 1S/C17H15ClN4OS/c1-12-20-21-17(22(12)13-7-3-2-4-8-13)24-11-16(23)19-15-10-6-5-9-14(15)18/h2-10H,11H2,1H3,(H,19,23)
InChiKey: UVHHVTVOYMQFAH-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-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide
N-(2-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
AIDS-370121
AIDS370121
Acetamide, 2-[[5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-chloro)phenyl-
BAS 02054573
AK-968/12096316
ST5259543
ZINC00897332

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.0122	0.6707	0.5
Entamoeba histolytica	rodhanase-like domain containing protein	0.0122	0.6707	1
Onchocerca volvulus		0.0122	0.6707	0.5
Entamoeba histolytica	rodhanase-like domain containing protein	0.0122	0.6707	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.5043	0.7518
Loa Loa (eye worm)	hypothetical protein	0.005	0.1208	0.1802
Onchocerca volvulus		0.0122	0.6707	0.5
Loa Loa (eye worm)	hypothetical protein	0.0122	0.6707	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1208	0.1802
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1208	0.1802
Brugia malayi	Rhodanese-like domain containing protein	0.0122	0.6707	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0122	0.6707	1
Echinococcus multilocularis	cell division control protein 45	0.0101	0.5043	0.3494
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.2381	0.355
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.2381	0.355
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0122	0.6707	1
Echinococcus granulosus	cell division control protein 45	0.0101	0.5043	0.3494
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2381	0.2381
Entamoeba histolytica	rodhanase-like domain containing protein	0.0122	0.6707	1
Loa Loa (eye worm)	RNA binding protein	0.0066	0.2381	0.355
Schistosoma mansoni	cell division control protein 45-related	0.0101	0.5043	0.5043
Trichomonas vaginalis	cdc25b, putative	0.0122	0.6707	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0122	0.6707	1
Brugia malayi	RNA binding protein	0.0066	0.2381	0.355
Echinococcus multilocularis	geminin	0.0166	1	1
Brugia malayi	hypothetical protein	0.0101	0.5043	0.7518
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0122	0.6707	1
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0122	0.6707	0.5678
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0122	0.6707	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.2381	0.355
Brugia malayi	Rhodanese-like domain containing protein	0.0122	0.6707	1
Onchocerca volvulus		0.0122	0.6707	0.5
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1208	0.1802
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2381	0.2381
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0122	0.6707	0.6707
Loa Loa (eye worm)	hypothetical protein	0.0113	0.598	0.8915
Brugia malayi	TAR-binding protein	0.0066	0.2381	0.355
Trichomonas vaginalis	cdc25c, putative	0.0122	0.6707	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.598	0.8915
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2381	0.2381
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2381	0.2381
Schistosoma mansoni	hypothetical protein	0.0166	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.2381	0.2381
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0122	0.6707	0.5678
Trichomonas vaginalis	cdc25b, putative	0.0122	0.6707	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.6707	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.31 uM	Antiviral activity against HIV1	ChEMBL.	16781149
IC50 (functional)	> 10 uM	Antiviral activity against HIV1	ChEMBL.	16781149

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

PubChem: 1150608

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 368178