TDR Targets

Basic information

Technical information

TDR Targets ID: 1397574
Name: [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(4-p henylpiperazin-1-yl)methanone
MW: 389.493 | Formula: C23H27N5O
H donors: 1 H acceptors: 2 LogP: 3.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)c1ccccc1)C1CCN(CC1)c1nc2c([nH]1)cccc2
InChi: 1S/C23H27N5O/c29-22(27-16-14-26(15-17-27)19-6-2-1-3-7-19)18-10-12-28(13-11-18)23-24-20-8-4-5-9-21(20)25-23/h1-9,18H,10-17H2,(H,24,25)
InChiKey: XURNZCYWOMHCNB-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-(1H-benzimidazol-2-yl)-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone
[1-(1H-benzimidazol-2-yl)-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone
G796-0345
NCGC00134455-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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	D-aminoacylase, putative	0.0036	0.0287	0.0447
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.3447	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0287	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0287	0.0447
Echinococcus granulosus	geminin	0.0166	0.1937	0.3116
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0287	0.0447
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0443	0.0772
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0443	0.0772
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0443	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0072	0.0115
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0204	0.0275
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0287	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0287	0.0447
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.019	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0204	0.0328
Echinococcus multilocularis	tumor protein p63	0.0408	0.5017	0.8069
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0072	0.0086
Schistosoma mansoni	lamin	0.0027	0.0177	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0593	0.1084
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1349	0.2171
Onchocerca volvulus		0.0103	0.1137	0.0977
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0121	0.1367	0.2693
Schistosoma mansoni	survival motor neuron protein	0.0103	0.1137	0.2214
Mycobacterium tuberculosis	Conserved protein	0.0397	0.4882	1
Onchocerca volvulus		0.006	0.0593	0.0424
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.1599	0.3175
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.1599	0.2856
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0072	0.0115
Mycobacterium tuberculosis	Hypothetical protein	0.0397	0.4882	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0121	0.1367	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0072	0.0115
Echinococcus multilocularis	survival motor neuron protein 1	0.0503	0.6217	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.2721	0.5507
Loa Loa (eye worm)	hypothetical protein	0.006	0.0593	0.0954
Mycobacterium ulcerans	hypothetical protein	0.0397	0.4882	1
Brugia malayi	intermediate filament protein	0.0027	0.0177	0.0256
Schistosoma mansoni	hypothetical protein	0.0166	0.1937	0.3878
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0397	0.4882	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0287	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.0072	0.0115
Echinococcus granulosus	Transglutaminase	0.0397	0.4882	0.7853
Schistosoma mansoni	aldehyde dehydrogenase	0.0121	0.1367	0.2693
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0287	0.0447
Onchocerca volvulus		0.0029	0.0204	0.0027
Echinococcus granulosus	intermediate filament protein	0.0027	0.0177	0.0285
Treponema pallidum	fructose-bisphosphate aldolase	0.0284	0.3447	0.5
Trichomonas vaginalis	peptide N-glycanase, putative	0.0397	0.4882	1
Mycobacterium tuberculosis	Long conserved protein	0.0397	0.4882	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0121	0.1367	0.2199
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0287	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0204	0.0328
Brugia malayi	Thioredoxin family protein	0.0397	0.4882	0.7847
Loa Loa (eye worm)	hypothetical protein	0.0503	0.6217	1
Echinococcus granulosus	survival motor neuron protein 1	0.0503	0.6217	1
Schistosoma mansoni	hypothetical protein	0.0103	0.1137	0.2214
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0072	0.0115
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0287	0.0447
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0204	0.0275
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0287	0.0447
Leishmania major	hypothetical protein, conserved	0.0036	0.0287	0.166
Mycobacterium ulcerans	hypothetical protein	0.0397	0.4882	1
Schistosoma mansoni	hypothetical protein	0.0397	0.4882	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Echinococcus granulosus	tumor protein p63	0.0408	0.5017	0.8069
Echinococcus multilocularis	geminin	0.0166	0.1937	0.3116
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0287	0.0447
Mycobacterium ulcerans	lipase LipD	0.0036	0.0287	0.0447
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0103	0.1137	0.1804
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0072	0.0115
Brugia malayi	MH2 domain containing protein	0.0119	0.1349	0.2148
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.3447	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0287	1
Brugia malayi	hypothetical protein	0.0503	0.6217	1
Echinococcus multilocularis	Transglutaminase	0.0397	0.4882	0.7853
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Onchocerca volvulus		0.0036	0.0287	0.0112
Schistosoma mansoni	hypothetical protein	0.0166	0.1937	0.3878
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0287	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0177	0.0285
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0443	0.0712
Echinococcus multilocularis	lamin dm0	0.0027	0.0177	0.0285
Toxoplasma gondii	aldehyde dehydrogenase	0.0121	0.1367	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0287	0.0447
Giardia lamblia	Transglutaminase/protease, putative	0.0397	0.4882	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0287	0.0447
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0204	0.0275
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0287	0.0447
Onchocerca volvulus		0.0036	0.0287	0.0112
Onchocerca volvulus		0.0036	0.0287	0.0112
Giardia lamblia	Hypothetical protein	0.0397	0.4882	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0287	0.0447
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1349	0.2171
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0287	0.0447
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0287	0.0447
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0204	0.0275
Mycobacterium ulcerans	transglutaminase family protein	0.0397	0.4882	1
Brugia malayi	Pre-SET motif family protein	0.0203	0.2407	0.3853
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0287	0.0447
Toxoplasma gondii	ABC1 family protein	0.0036	0.0287	0.0712
Mycobacterium leprae	Conserved hypothetical protein	0.0397	0.4882	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.0204	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0072	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0072	0.0115
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0204	0.0328
Brugia malayi	beta-lactamase family protein	0.0036	0.0287	0.0433
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0177	0.0256
Onchocerca volvulus		0.0231	0.2762	0.2632
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.1367	0.2693
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0287	0.0461
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0287	0.0447
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0177	0.0219
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0443	0.0712
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.2407	0.3871
Echinococcus multilocularis	lamin	0.0027	0.0177	0.0285
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0287	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0287	0.0461
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0287	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0171	0.0275
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0397	0.4882	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0287	0.0447
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0287	0.0447
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0397	0.4882	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0121	0.1367	0.2199
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0177	0.0285
Giardia lamblia	Fructose-bisphosphate aldolase	0.0284	0.3447	0.7015
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0072	0.0115
Brugia malayi	beta-lactamase	0.0036	0.0287	0.0433
Echinococcus granulosus	lamin	0.0027	0.0177	0.0285
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0287	0.0461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0443	0.0712
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.1367	0.2693
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.1599	0.3175
Schistosoma mansoni	aldehyde dehydrogenase	0.0121	0.1367	0.2693
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0177	0.0285
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0443	0.0685
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0121	0.1367	0.2693
Brugia malayi	beta-lactamase family protein	0.0036	0.0287	0.0433
Echinococcus multilocularis	musashi	0.0027	0.0177	0.0285
Mycobacterium leprae	Conserved hypothetical protein	0.0397	0.4882	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0287	0.0433
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.3447	0.7015
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0287	0.0447
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0018	0.0029
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.2762	0.5592
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0443	0.0712
Echinococcus granulosus	lamin dm0	0.0027	0.0177	0.0285
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0204	0.0328
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0443	0.0772
Schistosoma mansoni	lamin	0.0027	0.0177	0.0219
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0287	0.0447

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0355 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference

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: CHEMBL1519086

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 1397574