TDR Targets

Basic information

Technical information

TDR Targets ID: 761845
Name: [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3 -fluorophenyl)methanone
MW: 332.8 | Formula: C18H18ClFN2O
H donors: 0 H acceptors: 1 LogP: 3.42 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1ccccc1Cl
InChi: 1S/C18H18ClFN2O/c19-17-7-2-1-4-15(17)13-21-8-10-22(11-9-21)18(23)14-5-3-6-16(20)12-14/h1-7,12H,8-11,13H2
InChiKey: MBJQUPPBSVUDHE-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

[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(3-fluorophenyl)methanone
[4-(2-chlorobenzyl)piperazin-1-yl]-(3-fluorophenyl)methanone
STK129189
Oprea1_765443

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
Toxoplasma gondii	thioredoxin reductase	0.0052	0.0312	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.0312	0.0312
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0309	0.2308
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.0164	0.061
Schistosoma mansoni	hypothetical protein	0.0037	0.0174	0.0512
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1185	0.4409
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0324	0.1204
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0	0.5
Plasmodium vivax	acyl-CoA synthetase, putative	0.0038	0.0189	0.6061
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.0312	0.0312
Mycobacterium ulcerans	hypothetical protein	0.0163	0.1338	1
Brugia malayi	hypothetical protein	0.0386	0.3398	1
Echinococcus multilocularis	expressed protein	0.0037	0.0172	0.0172
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0309	0.119
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0189	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0189	0.0149
Entamoeba histolytica	hypothetical protein	0.0386	0.3398	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0309	0.119
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0174	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0174	0.0018
Entamoeba histolytica	hypothetical protein	0.0386	0.3398	1
Echinococcus multilocularis	tumor protein p63	0.1101	1	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.1185	0.4409
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.017	0.1268
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.1044	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0172	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0309	0.1149
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0036	0.0164	0.061
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0309	0.2308
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0386	0.3398	0.3398
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0309	0.2308
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0118	0.0923	0.8349
Trichomonas vaginalis	rotamase, putative	0.0036	0.0164	0.9538
Schistosoma mansoni	rotamase	0.0037	0.0172	0.0506
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.0923	0.6899
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0189	0.0149
Leishmania major	trypanothione reductase	0.0052	0.0312	0.116
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1185	0.4409
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0386	0.3398	0.3398
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0189	0.0149
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.0312	1
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.0312	0.1216
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0036	0.0164	0.061
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.2688	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0331	0.0974
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.0923	0.6899
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.1044	0.7807
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.1338	1
Schistosoma mansoni	cellular tumor antigen P53	0.0161	0.1323	0.3892
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.017	0.1268
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0309	0.0448
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0309	0.2308
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0236	0.0878
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0038	0.0189	0.1412
Plasmodium falciparum	glutathione reductase	0.0052	0.0312	1
Schistosoma mansoni	hypothetical protein	0.0386	0.3398	1
Trypanosoma brucei	trypanothione reductase	0.0052	0.0312	0.116
Onchocerca volvulus		0.0161	0.1323	1
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0309	0.0909
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0309	0.0909
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0331	0.1382
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0037	0.0172	0.0506
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.2688	1
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0309	0.2308
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0018	0	0.5
Toxoplasma gondii	peptidylprolyl isomerase	0.0036	0.0164	0.5257
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.0923	0.6899
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0309	0.0448
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0309	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0309	0.119
Plasmodium vivax	glutathione reductase, putative	0.0052	0.0312	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0309	0.2308
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0036	0.0164	0.061
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0236	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0331	0.1382
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0236	0.0878
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.1044	0.7807
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0309	0.2308
Mycobacterium tuberculosis	Probable reductase	0.0118	0.0923	0.6899
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0309	0.0448
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0309	0.2308
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0309	0.2308
Toxoplasma gondii	hypothetical protein	0.005	0.0295	0.946
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1323	1
Entamoeba histolytica	hypothetical protein	0.0386	0.3398	1
Schistosoma mansoni	transcription factor LCR-F1	0.0386	0.3398	1
Echinococcus granulosus	expressed protein	0.0037	0.0172	0.0172
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.0923	0.6899
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.2688	1
Treponema pallidum	NADH oxidase	0.0018	0	0.5
Brugia malayi	Thioredoxin reductase	0.0052	0.0312	0.0917
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0236	0.0878
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0331	0.0974
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0309	0.1149
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.1044	0.7807
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.2688	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0189	0.0149
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.0312	0.116
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.017	0.1268
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0309	0.1149
Plasmodium falciparum	thioredoxin reductase	0.0052	0.0312	1
Loa Loa (eye worm)	glutathione reductase	0.0052	0.0312	0.1216
Trichomonas vaginalis	rotamase, putative	0.0037	0.0172	1
Entamoeba histolytica	hypothetical protein	0.0386	0.3398	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.0312	0.2331
Brugia malayi	glutathione reductase	0.0052	0.0312	0.0917
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.0189	0.1412
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.017	0.1268
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.0923	0.6899
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.0189	0.6061
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0309	0.2308
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.0189	1

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 761845