TDR Targets

Basic information

Technical information

TDR Targets ID: 826946
Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chlorophen yl)piperazine-1-carboxamide
MW: 441.901 | Formula: C24H22ClF2N3O
H donors: 1 H acceptors: 1 LogP: 4.94 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C(=O)Nc1ccc(cc1)Cl
InChi: 1S/C24H22ClF2N3O/c25-19-5-11-22(12-6-19)28-24(31)30-15-13-29(14-16-30)23(17-1-7-20(26)8-2-17)18-3-9-21(27)10-4-18/h1-12,23H,13-16H2,(H,28,31)
InChiKey: QCLLUVRWQVHVFE-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-[bis(4-fluorophenyl)methyl]-N-(4-chlorophenyl)-1-piperazinecarboxamide

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
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Schistosoma mansoni	hypothetical protein	0.0033	0.023	0.0712
Echinococcus granulosus	para nitrobenzyl esterase	0.0044	0.038	0.0673
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Schistosoma mansoni	lipoxygenase	0.0019	0.0049	0.0153
Echinococcus multilocularis	neuroligin	0.0044	0.038	0.038
Echinococcus granulosus	carboxylesterase 5A	0.0263	0.3228	0.5716
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0565	0.1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0428	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0263	0.3228	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0565	0.175
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Onchocerca volvulus		0.0044	0.038	0.1758
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0565	1
Brugia malayi	Carboxylesterase family protein	0.0263	0.3228	0.8824
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0044	0.038	0.6732
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0428	0.1327
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0263	0.3228	1
Echinococcus granulosus	neuropeptide receptor A26	0.0449	0.5647	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0044	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Echinococcus granulosus	acetylcholinesterase	0.0263	0.3228	0.5716
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.1932	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0044	0.038	0.038
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0049	0.0087
Loa Loa (eye worm)	carboxylesterase	0.0044	0.038	0.1178
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0044	0.038	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0049	0.0153
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0	0.5
Schistosoma mansoni	rab6-interacting	0.0019	0.0049	0.0153
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0565	0.175
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0428	0.1171
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Echinococcus granulosus	BC026374 protein S09 family	0.0044	0.038	0.0673
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Loa Loa (eye worm)	acetylcholinesterase 1	0.0263	0.3228	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0565	1
Schistosoma mansoni	gliotactin	0.0044	0.038	0.1178
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1303	0.4036
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.5
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0296	0.3658	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0044	0.038	0.1178
Schistosoma mansoni	loxhd1	0.0019	0.0049	0.0153
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2047	0.6245
Brugia malayi	Doublecortin family protein	0.0019	0.0049	0.0135
Onchocerca volvulus		0.0044	0.038	0.1758
Schistosoma mansoni	acetylcholinesterase	0.0044	0.038	0.1178
Brugia malayi	hypothetical protein	0.0019	0.0049	0.0135
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	1
Echinococcus granulosus	acetylcholinesterase	0.0263	0.3228	0.5716
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0044	0.038	0.1178
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Schistosoma mansoni	rab6-interacting	0.0019	0.0049	0.0153
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0565	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0033	0.023	0.0712
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0049	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0044	0.038	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0263	0.3228	1
Echinococcus multilocularis	acetylcholinesterase	0.0263	0.3228	0.3228
Brugia malayi	Carboxylesterase family protein	0.0044	0.038	0.104
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0044	0.038	0.6732
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1434	0.4443
Schistosoma mansoni	hypothetical protein	0.0019	0.0049	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0617	0.191
Onchocerca volvulus		0.0044	0.038	0.1758
Brugia malayi	Carboxylesterase family protein	0.0044	0.038	0.104
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0049	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0428	0.1171
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0049	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1303	0.4036
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0565	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	1
Echinococcus granulosus	neuroligin	0.0044	0.038	0.0673
Echinococcus granulosus	RUN	0.0019	0.0049	0.0087
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0049	0.0049
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0044	0.038	0.0673
Echinococcus multilocularis	carboxylesterase 5A	0.0263	0.3228	0.3228
Echinococcus multilocularis	neuropeptide receptor A26	0.0449	0.5647	0.5647
Brugia malayi	Carboxylesterase family protein	0.0044	0.038	0.104
Brugia malayi	hypothetical protein	0.0044	0.038	0.104
Echinococcus granulosus	neuropeptide s receptor	0.0449	0.5647	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0049	0.0049
Schistosoma mansoni	lipoxygenase	0.0053	0.0496	0.1535
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Echinococcus multilocularis	para nitrobenzyl esterase	0.0044	0.038	0.038
Echinococcus multilocularis	neuropeptide s receptor	0.0449	0.5647	0.5647
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0049	0.0087
Onchocerca volvulus		0.0044	0.038	0.1758
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2841	0.88
Echinococcus multilocularis	RUN	0.0019	0.0049	0.0049
Loa Loa (eye worm)	carboxylesterase	0.0044	0.038	0.1178
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0249	0.3049	0.8335
Brugia malayi	MH2 domain containing protein	0.0115	0.1303	0.3561
Brugia malayi	Carboxylesterase family protein	0.0044	0.038	0.104
Echinococcus multilocularis	acetylcholinesterase	0.0263	0.3228	0.3228
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0044	0.038	0.1178
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0049	0.0153
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0249	0.3049	0.9446
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.023	0.0628
Onchocerca volvulus		0.0044	0.038	0.1758
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0049	0.0049
Brugia malayi	hypothetical protein	0.0019	0.0049	0.0135
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0053	0.0496	0.0496
Schistosoma mansoni	BC026374 protein (S09 family)	0.0044	0.038	0.1178
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0053	0.0496	0.0878
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0044	0.038	0.6732
Loa Loa (eye worm)	carboxylesterase	0.0263	0.3228	1
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0049	0.0153
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0108	0.1208	0.3741
Brugia malayi	Carboxylesterase family protein	0.0263	0.3228	0.8824
Schistosoma mansoni	polycystin 1-related	0.0019	0.0049	0.0153
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.1932	0.5815
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2047	0.6245
Trichomonas vaginalis	glucosylceramidase, putative	0.0249	0.3049	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 826946