TDR Targets

Basic information

Technical information

TDR Targets ID: 620906
Name: 5-[(3,4-difluorophenyl)-pyrrolidin-1-ylmethyl ]-2-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol -6-ol
MW: 350.386 | Formula: C16H16F2N4OS
H donors: 1 H acceptors: 3 LogP: 3.48 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nn2c(n1)sc(c2O)C(c1ccc(c(c1)F)F)N1CCCC1
InChi: 1S/C16H16F2N4OS/c1-9-19-16-22(20-9)15(23)14(24-16)13(21-6-2-3-7-21)10-4-5-11(17)12(18)8-10/h4-5,8,13,23H,2-3,6-7H2,1H3
InChiKey: JIHDFVPSGMGRDK-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

5-[(3,4-difluorophenyl)-pyrrolidin-1-yl-methyl]-2-methyl-thiazolo[2,3-e][1,2,4]triazol-6-ol
5-[(3,4-difluorophenyl)-1-pyrrolidinylmethyl]-2-methyl-6-thiazolo[2,3-e][1,2,4]triazolol
5-[(3,4-difluorophenyl)-pyrrolidin-1-yl-methyl]-2-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol

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
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0117	0.0148
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0096	0.0815	0.2603
Mycobacterium tuberculosis	Probable dehydrogenase	0.0632	0.7042	0.8942
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0265	0.0534
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0032	0.0075	0.0097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.045	0.1798
Plasmodium vivax	glutathione reductase, putative	0.0277	0.2918	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0117	0.0148
Plasmodium vivax	thioredoxin reductase, putative	0.0277	0.2918	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0096	0.0815	0.2603
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0265	0.0534
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0096	0.0815	0.2603
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0277	0.2918	0.3618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0304	0.1214
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0077	0.059	0.1812
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0072	0.0532	0.167
Echinococcus granulosus	tumor protein p63	0.0337	0.3614	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0117	0.0467
Brugia malayi	Thioredoxin reductase	0.0277	0.2918	0.7214
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0117	0.0064
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0325	0.3482	0.8632
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0655	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0273	0.0553
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0117	0.0215
Schistosoma mansoni	hypothetical protein	0.0033	0.0086	0.0033
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0096	0.0815	0.266
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0096	0.0815	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0325	0.3482	0.8632
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0096	0.0818	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0589	0.2355
Echinococcus multilocularis	thioredoxin glutathione reductase	0.028	0.2954	0.8147
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0426	0.1702
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0096	0.0815	0.266
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3482	0.3447
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0096	0.0818	0.0769
Toxoplasma gondii	NADPH-glutathione reductase	0.0096	0.0815	0.266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0303	0.121
Loa Loa (eye worm)	glutathione reductase	0.0277	0.2918	0.7214
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0632	0.7042	0.8942
Toxoplasma gondii	thioredoxin reductase	0.0277	0.2918	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0096	0.0818	0.2614
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0032	0.0075	0.0061
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0096	0.0815	0.2603
Plasmodium falciparum	glutathione reductase	0.0277	0.2918	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0117	0.0467
Echinococcus granulosus	tar DNA binding protein	0.0325	0.3482	0.963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0368	0.1471
Mycobacterium tuberculosis	Probable oxidoreductase	0.0702	0.7861	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0096	0.0815	0.2603
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Onchocerca volvulus		0.0036	0.0117	0.026
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0053	0.0036
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0632	0.7042	0.8942
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0075	0.03
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0117	0.0064
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0117	0.0161
Brugia malayi	Pre-SET motif family protein	0.0212	0.2163	0.5312
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0096	0.0815	1
Onchocerca volvulus		0.0241	0.2503	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0304	0.1214
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0096	0.0818	0.2614
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0117	0.0467
Loa Loa (eye worm)	thioredoxin reductase	0.0277	0.2918	0.7214
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0117	0.0161
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0632	0.7042	0.8942
Brugia malayi	beta-lactamase	0.0036	0.0117	0.0161
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0096	0.0815	1
Treponema pallidum	NADH oxidase	0.0096	0.0815	0.5
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0096	0.0815	0.1919
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3482	0.3447
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0032	0.0075	0.0022
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0096	0.0815	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0086	0.0084
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0096	0.0818	0.2614
Giardia lamblia	GTOR	0.0096	0.0818	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0277	0.2918	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0368	0.1471
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2163	0.5312
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0096	0.0818	0.2614
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0303	0.121
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0096	0.0815	0.0902
Trypanosoma cruzi	target of rapamycin kinase 3	0.0077	0.059	0.1812
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3482	0.3447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0362	0.1444
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0096	0.0815	0.2169
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0117	0.0179
Loa Loa (eye worm)	MH2 domain-containing protein	0.0372	0.4025	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0096	0.0815	0.5
Trichomonas vaginalis	esterase, putative	0.0036	0.0117	0.0467
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0273	0.0221
Onchocerca volvulus		0.0049	0.0273	0.0896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0362	0.1444
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0096	0.0818	0.2614
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.007	0.0519	0.1173
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0702	0.7861	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0096	0.0818	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0096	0.0815	0.2603
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0117	0.0467
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0702	0.7861	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0818	0.3269
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.004	0.0164	0.0315
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0303	0.121
Loa Loa (eye worm)	TAR-binding protein	0.0325	0.3482	0.8632
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0077	0.059	0.1812
Echinococcus multilocularis	tumor protein p63	0.0337	0.3614	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0632	0.7042	0.8942
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Plasmodium falciparum	thioredoxin reductase	0.0277	0.2918	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161
Trichomonas vaginalis	glutathione reductase, putative	0.0096	0.0815	0.3257
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0304	0.1214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0589	0.2355
Loa Loa (eye worm)	transcription factor SMAD2	0.0372	0.4025	1
Leishmania major	trypanothione reductase	0.0277	0.2918	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0117	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0075	0.03
Echinococcus multilocularis	tar DNA binding protein	0.0325	0.3482	0.9629
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3482	0.3447
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0096	0.0818	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161
Brugia malayi	beta-lactamase family protein	0.0036	0.0117	0.0161
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0046	0.0229	0.0541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0589	0.2355
Brugia malayi	TAR-binding protein	0.0325	0.3482	0.8632
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0265	0.0534
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0117	0.0148
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0096	0.0815	0.2603
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0075	0.03
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0702	0.7861	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0818	0.3269
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0096	0.0815	0.266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0589	0.2355
Brugia malayi	RNA binding protein	0.0325	0.3482	0.8632
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0117	0.0161
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0117	0.0223
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0096	0.0818	0.2614
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0589	0.2355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0096	0.0815	0.5
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Trichomonas vaginalis	mercuric reductase, putative	0.0096	0.0815	0.3257
Toxoplasma gondii	ABC1 family protein	0.0036	0.0117	0.0223
Loa Loa (eye worm)	RNA binding protein	0.0325	0.3482	0.8632
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0075	0.03
Onchocerca volvulus		0.0036	0.0117	0.026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0304	0.1214
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0632	0.7042	0.8942
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0096	0.0815	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.0075	0.0055
Schistosoma mansoni	tar DNA-binding protein	0.0325	0.3482	0.3447
Trypanosoma brucei	trypanothione reductase	0.0277	0.2918	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0096	0.0815	0.2603
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0096	0.0815	0.214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0096	0.0818	0.2177
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2364	0.2902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0368	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161
Brugia malayi	MH2 domain containing protein	0.0372	0.4025	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0096	0.0815	0.2603
Loa Loa (eye worm)	phosphatidylinositol 3	0.0096	0.0818	0.1926
Trichomonas vaginalis	set domain proteins, putative	0.0241	0.2503	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.007	0.0519	0.1173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Mycobacterium tuberculosis	Probable reductase	0.0632	0.7042	0.8942
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0086	0.0084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0532	0.2124
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0117	0.0467
Echinococcus granulosus	thioredoxin glutathione reductase	0.028	0.2954	0.8154
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0096	0.0818	0.1926
Brugia malayi	beta-lactamase family protein	0.0036	0.0117	0.0161
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0075	0.0055
Onchocerca volvulus		0.0036	0.0117	0.026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0075	0.03
Brugia malayi	glutathione reductase	0.0277	0.2918	0.7214
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0818	0.3269
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0265	0.0534
Trypanosoma cruzi	trypanothione reductase, putative	0.0096	0.0815	0.2603
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0117	0.0161

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.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 620906