TDR Targets

Basic information

Technical information

TDR Targets ID: 827027
Name: N-(4-acetylphenyl)-4-[bis(4-fluorophenyl)meth yl]piperazine-1-carboxamide
MW: 449.492 | Formula: C26H25F2N3O2
H donors: 1 H acceptors: 2 LogP: 4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(=O)C
InChi: 1S/C26H25F2N3O2/c1-18(32)19-6-12-24(13-7-19)29-26(33)31-16-14-30(15-17-31)25(20-2-8-22(27)9-3-20)21-4-10-23(28)11-5-21/h2-13,25H,14-17H2,1H3,(H,29,33)
InChiKey: RBWVDTAMCUYAER-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(4-acetylphenyl)-4-[bis(4-fluorophenyl)methyl]-1-piperazinecarboxamide
4-[bis(4-fluorophenyl)methyl]-N-(4-ethanoylphenyl)piperazine-1-carboxamide

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
Echinococcus granulosus	cathepsin L	0.0213	0.1371	0.0484
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0394	0.4121	0.3517
Plasmodium vivax	vivapain-2	0.0394	0.4121	1
Trypanosoma cruzi	cysteine protease, putative	0.0213	0.1371	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0271	0.2246	0.2246
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0394	0.4121	1
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0394	0.4121	0.4121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0394	0.4121	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.1371	0.1371
Trypanosoma cruzi	cruzipain precursor, putative	0.0394	0.4121	0.4121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Brugia malayi	cathepsin L-like precursor	0.0271	0.2246	0.2246
Leishmania major	cysteine peptidase A (CPA)	0.0394	0.4121	1
Echinococcus multilocularis	cysteine protease	0.0394	0.4121	0.3517
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Brugia malayi	Papain family cysteine protease containing protein	0.0213	0.1371	0.1371
Onchocerca volvulus	Cathepsin F homolog	0.0394	0.4121	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.1371	0.1371
Brugia malayi	Cathepsin L-like precursor	0.0271	0.2246	0.2246
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Echinococcus multilocularis	cathepsin b	0.0781	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.4121	1
Echinococcus multilocularis	cathepsin b	0.0781	1	1
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0213	0.1371	0.1371
Echinococcus granulosus	cysteine protease	0.0213	0.1371	0.0484
Loa Loa (eye worm)	cysteine protease	0.0394	0.4121	0.4121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Loa Loa (eye worm)	hypothetical protein	0.0271	0.2246	0.2246
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Echinococcus multilocularis	cysteine protease	0.0394	0.4121	0.3517
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0394	0.4121	0.4121
Echinococcus multilocularis	cathepsin L cysteine protease	0.0394	0.4121	0.3517
Echinococcus granulosus	cathepsin b	0.0781	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0781	1	1
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Brugia malayi	Papain family cysteine protease containing protein	0.0213	0.1371	0.1371
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0394	0.4121	0.3517
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Loa Loa (eye worm)	fibroinase	0.0394	0.4121	0.4121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Echinococcus granulosus	cathepsin b	0.0781	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0304	0.2745	0.4995
Onchocerca volvulus		0.0394	0.4121	1
Onchocerca volvulus	Cathepsin L homolog	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0213	0.1371	0.1371
Onchocerca volvulus		0.0394	0.4121	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0394	0.4121	0.4121
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0394	0.4121	0.3517
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Onchocerca volvulus	Cathepsin L homolog	0.0394	0.4121	1
Plasmodium vivax	vivapain-3	0.0213	0.1371	0.3328
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Echinococcus granulosus	cathepsin l1	0.0394	0.4121	0.3517
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Onchocerca volvulus		0.0394	0.4121	1
Onchocerca volvulus		0.0394	0.4121	1
Giardia lamblia	Cathepsin B precursor	0.0304	0.2745	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0394	0.4121	0.3517
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0394	0.4121	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0394	0.4121	0.4121
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0781	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0781	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Onchocerca volvulus		0.0394	0.4121	1
Onchocerca volvulus		0.0394	0.4121	1
Giardia lamblia	Cathepsin B precursor	0.0304	0.2745	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0271	0.2246	0.2246
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Loa Loa (eye worm)	hypothetical protein	0.0781	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0394	0.4121	0.4121
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0781	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0213	0.1371	0.0484
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0213	0.1371	0.1371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0394	0.4121	0.4121
Loa Loa (eye worm)	hypothetical protein	0.0271	0.2246	0.2246
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Brugia malayi	Cathepsin L-like precursor	0.0271	0.2246	0.2246
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Loa Loa (eye worm)	cathepsin B	0.0304	0.2745	0.2745
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0394	0.4121	0.4121
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Plasmodium vivax	vivapain-2	0.0394	0.4121	1
Onchocerca volvulus		0.0394	0.4121	1
Echinococcus granulosus	cathepsin l1	0.0271	0.2246	0.1449
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0394	0.4121	0.4121
Toxoplasma gondii	cathepsin CPL	0.0394	0.4121	1
Brugia malayi	Cathepsin L-like precursor	0.0394	0.4121	0.4121
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0304	0.2745	0.2745
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0394	0.4121	1
Entamoeba histolytica	cysteine protease, putative	0.0394	0.4121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0304	0.2745	0.4995
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Loa Loa (eye worm)	ctsf protein	0.0394	0.4121	0.4121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0271	0.2246	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Entamoeba histolytica	cysteine proteinase, putative	0.0394	0.4121	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0781	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0304	0.2745	0.2745
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0271	0.2246	0.2246
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0394	0.4121	0.3517
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0213	0.1371	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0394	0.4121	0.4121
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0271	0.2246	0.2246
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0271	0.2246	0.3182
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Echinococcus multilocularis	cathepsin L	0.0213	0.1371	0.0484
Plasmodium vivax	unspecified product	0.0213	0.1371	0.3328
Leishmania major	cathepsin L-like protease	0.0394	0.4121	1
Giardia lamblia	Cathepsin B precursor	0.0304	0.2745	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.0213	0.1371	0.1371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0394	0.4121	1
Schistosoma mansoni	hypothetical protein	0.0285	0.2455	0.2455
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0394	0.4121	1
Brugia malayi	Papain family cysteine protease containing protein	0.0394	0.4121	0.4121
Plasmodium vivax	vivapain-1	0.0213	0.1371	0.3328
Entamoeba histolytica	cysteine proteinase, putative	0.0271	0.2246	0.3182

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 827027