TDR Targets

Basic information

Technical information

TDR Targets ID: 709665
Name: 2-[4-methyl-5-[2-oxo-2-[(2-propan-2-ylphenyl) amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3 -(trifluoromethyl)phenyl]acetamide
MW: 491.529 | Formula: C23H24F3N5O2S
H donors: 2 H acceptors: 4 LogP: 3.99 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1nnc(n1C)SCC(=O)Nc1ccccc1C(C)C)Nc1cccc(c1)C(F)(F)F
InChi: 1S/C23H24F3N5O2S/c1-14(2)17-9-4-5-10-18(17)28-21(33)13-34-22-30-29-19(31(22)3)12-20(32)27-16-8-6-7-15(11-16)23(24,25)26/h4-11,14H,12-13H2,1-3H3,(H,27,32)(H,28,33)
InChiKey: GUKKNEPJXIZNLS-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-[2-[(2-isopropylphenyl)amino]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[5-[[2-[(2-isopropylphenyl)amino]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[5-[[2-[(2-isopropylphenyl)amino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[4-methyl-5-[2-oxo-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide
ZINC02867007
STK186679

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
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0682	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0682	0.1018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0401	0.0599
Giardia lamblia	GTOR	0.0048	0.108	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0498	0.1106
Brugia malayi	beta-lactamase family protein	0.0035	0.0682	0.1016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0486	0.0726
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0099	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0099	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0778	0.1162
Brugia malayi	Pre-SET motif family protein	0.0029	0.0498	0.0695
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0048	0.108	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.108	0.1613
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0682	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0682	0.0589
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.0779	0.6934
Echinococcus multilocularis	tumor protein p63	0.0335	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.04	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0099	0.0148
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0682	0.5943
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0498	0.0403
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0498	0.1106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0401	0.0599
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.0779	0.6934
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0682	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0778	0.1162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0477	0.0713
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.0217	0.1204
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0682	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.6492	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0786	0.0694
Schistosoma mansoni	hypothetical protein	0.0122	0.3399	0.9155
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Brugia malayi	hypothetical protein	0.0038	0.0786	0.1197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.04	0.0597
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0498	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0498	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0048	0.108	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0786	0.0694
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0682	0.5943
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0498	0.0403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Onchocerca volvulus		0.0035	0.0682	0.0297
Brugia malayi	beta-lactamase	0.0035	0.0682	0.1016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0778	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Onchocerca volvulus		0.0035	0.0682	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.04	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0401	0.0599
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3704	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0594	0.0887
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0048	0.108	0.0991
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0786	0.1905
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0302	0.207
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0048	0.108	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0099	0.0148
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0682	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0682	0.1618
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0682	0.1016
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0682	0.0589
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0702	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0048	0.108	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.108	0.1613
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0864	0.129
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.3399	0.3333
Schistosoma mansoni	hypothetical protein	0.0038	0.0786	0.1905
Brugia malayi	Pre-SET motif family protein	0.0201	0.5836	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.0779	0.6934
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0048	0.108	0.2722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0486	0.0726
Trichomonas vaginalis	esterase, putative	0.0035	0.0682	0.1018
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.3704	0.3641
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.6698	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0682	0.1016
Onchocerca volvulus		0.0035	0.0682	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0778	0.1162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0477	0.0713
Toxoplasma gondii	ABC1 family protein	0.0035	0.0682	0.9031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0562	0.0839
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1126	0.1789
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0048	0.108	0.0991
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0099	0.0148
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0682	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0048	0.108	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0486	0.0726
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0778	0.1162
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0682	0.1018
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.5836	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0682	0.1016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0682	0.1018
Mycobacterium ulcerans	lipase LipD	0.0035	0.0682	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0682	0.1018
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0682	0.1018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0702	0.1048
Onchocerca volvulus		0.0229	0.6698	1
Onchocerca volvulus		0.0049	0.1126	0.1012
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0682	0.1618
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3704	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0465	0.037
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0048	0.108	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.3399	0.3333
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0048	0.108	0.171
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0048	0.108	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.108	0.1613
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0682	0.5
Leishmania major	hypothetical protein, conserved	0.0035	0.0682	0.5943
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0048	0.108	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0682	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0048	0.108	0.171
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.1126	0.2848
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0498	0.1106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0401	0.0599
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0682	0.5943
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0498	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0682	0.1016

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 709665