TDR Targets

Basic information

Technical information

TDR Targets ID: 1068536
Name: 1-(4-fluoro-1H-indol-3-yl)-2-[4-(1,3-thiazole -4-carbonyl)piperazin-1-yl]ethane-1,2-dione
MW: 386.4 | Formula: C18H15FN4O3S
H donors: 1 H acceptors: 4 LogP: 1.78 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(=O)c1c[nH]c2c1c(F)ccc2)N1CCN(CC1)C(=O)c1cscn1
InChi: 1S/C18H15FN4O3S/c19-12-2-1-3-13-15(12)11(8-20-13)16(24)18(26)23-6-4-22(5-7-23)17(25)14-9-27-10-21-14/h1-3,8-10,20H,4-7H2
InChiKey: HJHLFRALOIPOMA-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

1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
1-(4-fluoro-1H-indol-3-yl)-2-[4-[oxo-(4-thiazolyl)methyl]-1-piperazinyl]ethane-1,2-dione
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1,3-thiazol-4-ylcarbonyl)piperazin-1-yl]ethane-1,2-dione
AIDS-169672
AIDS169672
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-

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
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0776	0.126
Brugia malayi	beta-lactamase family protein	0.0035	0.0289	0.0548
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0289	0.0165
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0099
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.1559	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0056	0.0608	0.1095
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0522	0.0766
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0289	0.3238
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3194	1
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0499	0.0377
Entamoeba histolytica	hypothetical protein	0.0071	0.0833	1
Brugia malayi	hypothetical protein	0.0071	0.0833	0.1579
Schistosoma mansoni	hypothetical protein	0.0071	0.0833	0.0715
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0118	0.1559	0.1451
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0289	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0499	0.0722
Leishmania major	hypothetical protein, conserved	0.0035	0.0289	0.1071
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0289	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0522	0.04
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.0522	0.8172
Loa Loa (eye worm)	transcription factor SMAD2	0.036	0.5276	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.0522	0.2703
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0608	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.1559	1
Brugia malayi	MAP kinase sur-1	0.005	0.0522	0.0988
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0462	0.034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0462	0.034
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0522	0.7296
Brugia malayi	MH2 domain containing protein	0.0025	0.0127	0.024
Brugia malayi	MH1 domain containing protein	0.0025	0.0127	0.024
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0137	0.002
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0833	0.0715
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0099
Echinococcus multilocularis	tumor protein p63	0.0333	0.4864	0.4798
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0056	0.0608	0.2505
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.125	0.237
Brugia malayi	MH2 domain containing protein	0.0025	0.0127	0.024
Schistosoma mansoni	ap endonuclease	0.0056	0.0608	0.0487
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0056	0.0608	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0118	0.1559	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0462	0.034
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0522	0.04
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0522	0.04
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0522	0.2703
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0099
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0099
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0099
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0056	0.0608	0.0487
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0522	0.04
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0833	0.0715
Toxoplasma gondii	ABC1 family protein	0.0035	0.0289	0.1071
Brugia malayi	Smad1	0.0025	0.0127	0.024
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0225	0.0427
Brugia malayi	MH2 domain containing protein	0.036	0.5276	1
Schistosoma mansoni	ap endonuclease	0.0056	0.0608	0.0487
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.125	0.2182
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0225	0.0191
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0289	0.5
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0056	0.0608	0.3308
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0225	0.0099
Schistosoma mansoni	hypothetical protein	0.0067	0.0776	0.0657
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0056	0.0608	0.0933
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0099
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0289	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0098	0.125	0.2182
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.125	0.237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0462	0.034
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0608	1
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0522	0.04
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0118	0.1559	0.1451
Brugia malayi	beta-lactamase	0.0035	0.0289	0.0548
Loa Loa (eye worm)	MH2 domain-containing protein	0.036	0.5276	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0522	0.7296
Brugia malayi	exodeoxyribonuclease III family protein	0.0056	0.0608	0.1151
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.0522	0.8172
Entamoeba histolytica	hypothetical protein	0.0071	0.0833	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0118	0.1559	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.0522	0.2703
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0608	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0522	0.7296
Onchocerca volvulus		0.0049	0.0499	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0118	0.1559	0.1451
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0289	0.0316
Entamoeba histolytica	hypothetical protein	0.0071	0.0833	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0225	0.0099
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0462	0.0876
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0118	0.1559	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0056	0.0608	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0056	0.0608	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0225	0.0427
Entamoeba histolytica	hypothetical protein	0.0071	0.0833	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0833	0.0715
Brugia malayi	hypothetical protein	0.0025	0.0137	0.026
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0776	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0118	0.1559	0.4372
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0608	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Schistosoma mansoni	aldehyde dehydrogenase	0.0118	0.1559	0.1451
Toxoplasma gondii	exonuclease III APE	0.0056	0.0608	0.3308
Echinococcus granulosus	tumor protein p63	0.0333	0.4864	0.4798
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0056	0.0608	1
Trypanosoma brucei	protein kinase, putative	0.005	0.0522	0.8172
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0289	0.3238
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0462	0.034
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0462	0.0651
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0056	0.0608	0.0487
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0522	0.8172
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0289	0.0316
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0289	0.0316
Brugia malayi	beta-lactamase family protein	0.0035	0.0289	0.0548
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0522	0.7296
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.0522	0.8172
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0462	0.034
Brugia malayi	MH1 domain containing protein	0.0025	0.0127	0.024
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0608	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0608	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0289	0.0548
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0099
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0289	0.3238
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.0522	0.8172
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0289	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0225	0.0191
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0462	0.034
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0289	0.3238

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

ChEMBL: CHEMBL567890

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1068536