TDR Targets

Basic information

Technical information

TDR Targets ID: 648439
Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4 -phenylphenyl)methanone
MW: 390.905 | Formula: C24H23ClN2O
H donors: 0 H acceptors: 1 LogP: 4.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CN1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1
InChi: 1S/C24H23ClN2O/c25-23-8-4-5-19(17-23)18-26-13-15-27(16-14-26)24(28)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-12,17H,13-16,18H2
InChiKey: XDKQBPGVSHBLEK-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-[(3-chlorophenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone
[4-(3-chlorobenzyl)piperazin-1-yl]-(4-phenylphenyl)methanone
Oprea1_109583
STK137932

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
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0478	0.5865
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.0478	0.0478
Giardia lamblia	Nuclear LIM interactor-interacting factor 1	0.0012	0.0095	0.0732
Entamoeba histolytica	NLI interacting factor-like phosphatase domain-containing protein	0.0012	0.0095	0.0113
Trypanosoma brucei	hypothetical protein, conserved	0.0012	0.0089	0.0684
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0095	0.0095
Brugia malayi	ImpB/MucB/SamB family protein	0.0063	0.085	0.5178
Leishmania major	DNA polymerase kappa, putative	0.0012	0.0089	0.0684
Leishmania major	hypothetical protein, conserved	0.0012	0.0095	0.0732
Trypanosoma brucei	polo-like protein kinase	0.0092	0.1294	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.0752	0.0752
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0095	0.0113
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0478	0.369
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.0752	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0752	1
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Echinococcus multilocularis	microtubule associated protein 2	0.0676	1	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0063	0.085	0.6568
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma cruzi	phopshatase, putative	0.0006	0.001	0.0075
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0752	1
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Schistosoma mansoni	hypothetical protein	0.0012	0.0093	0.0093
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0095	0.0113
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0116	0.1641	0.1641
Trypanosoma cruzi	kinatase, putative	0.0007	0.0014	0.011
Giardia lamblia	DNA damage repair protein	0.0012	0.0089	0.0684
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Giardia lamblia	DINP protein human, muc B family	0.0038	0.0478	0.369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0478	0.369
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0597	0.0712
Giardia lamblia	Kinase, PLK	0.0092	0.1294	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0012	0.0089	0.0684
Trypanosoma brucei	Mitochondrial import inner membrane translocase subunit TIM50	0.0012	0.0095	0.0732
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0095	0.0113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0302	0.2337
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.1294	1
Schistosoma mansoni	kinase	0.0047	0.0615	0.0615
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Plasmodium falciparum	NLI interacting factor-like phosphatase, putative	0.0012	0.0095	1
Schistosoma mansoni	DNA polymerase IV / kappa	0.0012	0.0089	0.0089
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0116	0.1641	0.1641
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0092	0.1294	0.2823
Brugia malayi	serine/threonine-protein kinase plk-2	0.0092	0.1294	0.7884
Leishmania major	DNA polymerase eta, putative	0.0063	0.085	0.6568
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0752	0.0752
Onchocerca volvulus		0.0313	0.4584	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.0461	0.3561
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0095	0.0577
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0478	0.369
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0038	0.0478	0.0569
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Leishmania major	DNA polymerase eta, putative	0.0037	0.0461	0.3561
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.0567	0.8387	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0302	0.2337
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Echinococcus granulosus	dna polymerase eta	0.0063	0.085	0.085
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0752	0.0752
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0116	0.1641	1
Schistosoma mansoni	microtubule-associated protein tau	0.0676	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0567	0.8387	1
Trypanosoma brucei	DNA damage repair protein, putative	0.0012	0.0089	0.0684
Trypanosoma brucei	DNA damage repair protein, putative	0.0012	0.0089	0.0684
Trypanosoma brucei	chrX additional, unordered contigs	0.0012	0.0089	0.0684
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0116	0.1641	0.1641
Echinococcus multilocularis	Carboxy terminal domain RNA polymerase II	0.0012	0.0095	0.0095
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0092	0.1294	1
Trypanosoma cruzi	DNA damage repair protein, putative	0.0012	0.0089	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0063	0.085	0.5178
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0093	0.0564
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.1294	0.1294
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0092	0.1294	0.1543
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0095	0.0113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0012	0.0089	0.0684
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.0478	0.369
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0461	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0116	0.1641	0.1641
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0302	0.2337
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.0478	0.0569
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0095	0.0732
Entamoeba histolytica	leucine rich repeat and phosphatase domain containing protein	0.0006	0.001	0.0012
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.0478	0.0569
Leishmania major	DNA damage repair protein, putative	0.0012	0.0089	0.0684
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0116	0.1641	0.1641
Echinococcus granulosus	CTD small phosphatase protein like	0.0012	0.0095	0.0095
Toxoplasma gondii	Dullard family phosphatase domain-containing protein	0.0012	0.0095	0.0168
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0095	0.0095
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0095	1
Trypanosoma cruzi	phopshatase, putative	0.0006	0.001	0.0075
Echinococcus multilocularis	dna polymerase eta	0.0063	0.085	0.085
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0089	0.0684
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.0478	0.0478
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0478	0.5865
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1294	0.1543
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0089	0.0684
Trypanosoma brucei	unspecified product	0.0038	0.0478	0.369
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0095	0.0113
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0092	0.1294	0.1294
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.0752	0.581
Trichomonas vaginalis	nuclear lim interactor-interacting factor, putative	0.0012	0.0095	0.0113
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.1294	1
Echinococcus multilocularis		0.0012	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0539
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0116	0.1641	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma brucei	phosphatase, putative	0.0006	0.001	0.0075
Schistosoma mansoni	DNA polymerase eta	0.0063	0.085	0.085
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.0478	0.0478
Trypanosoma cruzi	kinatase, putative	0.0007	0.0014	0.011
Brugia malayi	polk-prov protein	0.0012	0.0089	0.0539
Echinococcus granulosus	dna polymerase kappa	0.0038	0.0478	0.0478
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.0478	0.291
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0695	0.4237
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.0478	0.291
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0752	0.4581
Entamoeba histolytica	leucine rich repeat and phosphatase domain containing protein	0.0006	0.001	0.0012
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0095	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.0478	0.0478
Trypanosoma brucei	unspecified product	0.0026	0.0302	0.2337
Trypanosoma brucei	unspecified product	0.0026	0.0302	0.2337
Trypanosoma brucei	DNA polymerase eta, putative	0.0063	0.085	0.6568
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Trypanosoma brucei	kinatase, putative	0.0007	0.0014	0.011
Trichomonas vaginalis	dullard protein, putative	0.0012	0.0095	0.0113
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Brugia malayi	Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1	0.0012	0.0095	0.0577
Leishmania major	dual specificity protein phosphatase, putative	0.0007	0.0014	0.011
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0478	0.369
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.0478	0.0478
Trypanosoma brucei	hypothetical protein, conserved	0.0012	0.0089	0.0684
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0597	0.0712
Echinococcus granulosus	Carboxy terminal domain RNA polymerase II	0.0012	0.0095	0.0095
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0092	0.1294	0.7884
Trypanosoma cruzi	DNA damage repair protein, putative	0.0012	0.0089	0.0684
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0092	0.1294	0.1294

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 648439