TDR Targets

Basic information

Technical information

TDR Targets ID: 755757
Name: N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-y l]pyrazol-3-yl]-4-phenylbutanamide
MW: 420.522 | Formula: C25H29FN4O
H donors: 1 H acceptors: 2 LogP: 4.08 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccnn1C1CCN(CC1)Cc1ccccc1F)CCCc1ccccc1
InChi: 1S/C25H29FN4O/c26-23-11-5-4-10-21(23)19-29-17-14-22(15-18-29)30-24(13-16-27-30)28-25(31)12-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,13,16,22H,6,9,12,14-15,17-19H2,(H,28,31)
InChiKey: BGBCZHMIYJNKMN-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

N-[2-[1-[(2-fluorophenyl)methyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butanamide
N-[2-[1-[(2-fluorophenyl)methyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide
N-[2-[1-(2-fluorobenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide
N-[2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0086	0.0129
Echinococcus multilocularis	dnaJ subfamily B	0.0434	0.6645	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0007	0.0054	0.0616
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0007	0.0054	0.0081
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0007	0.0054	0.0616
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0546	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0438	0.0659
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.0054	0.0081
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0057	0.0086
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0234	0.2693
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0234	0.0352
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0382	0.0575
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0546	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0086	0.0129
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0546	0.5
Echinococcus multilocularis	musashi	0.0029	0.0382	0.0575
Schistosoma mansoni	hypothetical protein	0.0434	0.6645	1
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0652	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0546	0.6282
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0153	0.0231
Schistosoma mansoni	retinoic acid receptor RXR	0.0007	0.0054	0.0081
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0546	0.0822
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0007	0.0054	0.0081
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0234	0.0352
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0086	0.0986
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.0546	0.0822
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0007	0.0054	0.0616
Schistosoma mansoni	hypothetical protein	0.0019	0.0234	0.0352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0007	0.0054	0.0616
Onchocerca volvulus		0.003	0.0411	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0382	0.4395
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Echinococcus granulosus	FTZ F1 alpha	0.0007	0.0054	0.0081
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0007	0.0054	0.0081
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0234	0.2693
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0057	0.0086
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.0054	0.0081
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0007	0.0054	0.0616
Echinococcus granulosus	lamin	0.0029	0.0382	0.0575
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0177	0.2034
Echinococcus multilocularis	cpg binding protein	0.0032	0.0438	0.0659
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0007	0.0054	0.0081
Schistosoma mansoni	lamin	0.0029	0.0382	0.0575
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0007	0.0054	0.0081
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0057	0.0086
Entamoeba histolytica	fatty acid elongase, putative	0.0085	0.1247	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0007	0.0054	0.0081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0007	0.0054	0.0616
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0869	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0145	0.1671
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0234	0.2693
Echinococcus granulosus	lamin dm0	0.0029	0.0382	0.0575
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0832	1
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0652	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0382	0.4395
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0652	1	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0153	0.0231
Schistosoma mansoni	cpg binding protein	0.0032	0.0438	0.0659
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.0054	0.0081
Brugia malayi	Steroid receptor seven-up type 2	0.0007	0.0054	0.0616
Schistosoma mansoni	aldehyde dehydrogenase	0.0044	0.0622	0.0936
Brugia malayi	photoreceptor-specific nuclear receptor	0.0007	0.0054	0.0616
Schistosoma mansoni	hypothetical protein	0.0019	0.0234	0.0352
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0007	0.0054	0.0081
Entamoeba histolytica	fatty acid elongase, putative	0.0085	0.1247	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0007	0.0054	0.0081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0007	0.0054	0.0616
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0546	1
Onchocerca volvulus		0.0029	0.0382	0.9196
Brugia malayi	intermediate filament protein	0.0029	0.0382	0.4395
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0234	0.0352
Echinococcus granulosus	dnaJ subfamily B	0.0434	0.6645	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0007	0.0054	0.0616
Schistosoma mansoni	aldehyde dehydrogenase	0.0044	0.0622	0.0936
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0044	0.0622	0.0936
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0007	0.0054	0.0616
Schistosoma mansoni	cpg binding protein	0.003	0.0411	0.0618
Brugia malayi	nuclear receptor NHR-88	0.0007	0.0054	0.0616
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.0546	0.0822
Brugia malayi	ecdysteroid receptor	0.0007	0.0054	0.0616
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0007	0.0054	0.0616
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0007	0.0054	0.0081
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0007	0.0054	0.0081
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0007	0.0054	0.0081
Schistosoma mansoni	RAR-like nuclear receptor	0.0007	0.0054	0.0081
Echinococcus granulosus	intermediate filament protein	0.0029	0.0382	0.0575
Echinococcus multilocularis	lamin	0.0029	0.0382	0.0575
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0234	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0374	0.4302
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0153	0.1764
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0057	0.0086
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0575	0.6618
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0007	0.0054	0.0081
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0546	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Echinococcus granulosus	cpg binding protein	0.0032	0.0438	0.0659
Echinococcus granulosus	ecdysone induced protein 78C	0.0007	0.0054	0.0081
Echinococcus multilocularis	ecdysone induced protein 78C	0.0007	0.0054	0.0081
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0652	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0007	0.0054	0.0616
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0007	0.0054	0.0081
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0869	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.0546	1
Brugia malayi	nuclear hormone receptor	0.0007	0.0054	0.0616
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0007	0.0054	0.0616
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0007	0.0054	0.0081
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0546	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0546	0.0822
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0869	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0057	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0145	0.1671
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0007	0.0054	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0054	0.0616
Schistosoma mansoni	nuclear hormone receptor	0.0007	0.0054	0.0081
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.0546	0.0822
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0054	0.0616
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0044	0.0622	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0044	0.0622	0.0936
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.0054	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Schistosoma mansoni	hypothetical protein	0.0019	0.0234	0.0352
Schistosoma mansoni	hypothetical protein	0.0041	0.0575	0.0866
Entamoeba histolytica	fatty acid elongase, putative	0.0085	0.1247	1
Entamoeba histolytica	fatty acid elongase, putative	0.0085	0.1247	1
Loa Loa (eye worm)	steroid hormone receptor	0.0007	0.0054	0.0616
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0652	1	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0234	0.0352
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0177	0.2034
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0007	0.0054	0.0081
Brugia malayi	CXXC zinc finger family protein	0.003	0.0411	0.4725
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0411	0.4725
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.0546	0.6282
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.0939	0.1413
Brugia malayi	steroid hormone receptor	0.0007	0.0054	0.0616
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0084	0.0964
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0007	0.0054	0.0616
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0382	0.4395
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.0054	0.0616
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0382	0.4395
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0008	0.0011
Schistosoma mansoni	lamin	0.0029	0.0382	0.0575
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0652	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.0054	0.0081
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0652	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0869	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.0546	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0054	0.0616
Entamoeba histolytica	fatty acid elongase, putative	0.0085	0.1247	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0546	0.5
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.0546	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0054	0.0616
Echinococcus multilocularis	FTZ F1 alpha	0.0007	0.0054	0.0081
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0234	0.0352
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.0054	0.0616
Onchocerca volvulus		0.0029	0.0382	0.9196
Echinococcus multilocularis	lamin dm0	0.0029	0.0382	0.0575
Echinococcus granulosus	GPCR family 2	0.0019	0.0234	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0234	0.2693
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0575	0.6618
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0007	0.0054	0.0081
Schistosoma mansoni	coup transcription factor	0.0007	0.0054	0.0081
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0007	0.0054	0.0081
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.0054	0.0616

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	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: CHEMBL2136272
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 755757