TDR Targets

Basic information

Technical information

TDR Targets ID: 1707601
Name: 3-[1-(3-fluorobenzoyl)piperidin-3-yl]-1-(4-py ridin-2-ylpiperazin-1-yl)propan-1-one
MW: 424.511 | Formula: C24H29FN4O2
H donors: 0 H acceptors: 3 LogP: 2.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C(=O)N1CCCC(C1)CCC(=O)N1CCN(CC1)c1ccccn1
InChi: 1S/C24H29FN4O2/c25-21-7-3-6-20(17-21)24(31)29-12-4-5-19(18-29)9-10-23(30)28-15-13-27(14-16-28)22-8-1-2-11-26-22/h1-3,6-8,11,17,19H,4-5,9-10,12-16,18H2
InChiKey: YQMMUNXEQIGTFO-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

3-[1-(3-fluorobenzoyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one
3-[1-[(3-fluorophenyl)-oxomethyl]-3-piperidinyl]-1-[4-(2-pyridyl)-1-piperazinyl]propan-1-one
3-[1-(3-fluorophenyl)carbonylpiperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

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 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.0108	0.0108
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.0108	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0632	0.0632
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0108	0.0108
Leishmania major	cytochrome p450-like protein	0.0023	0.0112	0.5
Loa Loa (eye worm)	hypothetical protein	0.0369	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.006	0.1176	0.1176
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.0108	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Schistosoma mansoni	hypothetical protein	0.0048	0.0838	0.8101
Schistosoma mansoni	coup transcription factor	0.0023	0.0108	0.104
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.0108	0.0173
Schistosoma mansoni	hypothetical protein	0.0041	0.0632	0.6108
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0955	0.0955
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.0108	0.0108
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.0108	0.104
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.0108	0.104
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1034	0.166
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.0108	0.0108
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1034	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.0108	0.0173
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1034	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.0108	0.0108
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0838	0.0838
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.0108	0.0108
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0108	0.104
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1034	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1176	0.1176
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0108	0.0173
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0108	0.0173
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.0108	0.104
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.0108	0.0173
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.0108	0.0108
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0112	0.0112
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.0108	0.0173
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.0108	0.0108
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.0108	0.104
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0955	0.0955
Brugia malayi	hypothetical protein	0.0237	0.6232	0.6232
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.0108	0.104
Onchocerca volvulus	Bile acid receptor homolog	0.0369	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.0108	0.104
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0112	0.0112
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.6232	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.0108	0.0173
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0112	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.0108	0.0173
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.0108	0.0173
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.0108	0.0108
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1034	0.166
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.0108	0.104
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Brugia malayi	nuclear hormone receptor	0.0023	0.0108	0.0108
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.0108	0.0173
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0237	0.6232	0.6232
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.0108	0.0173
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.0108	0.0108
Brugia malayi	steroid hormone receptor	0.0023	0.0108	0.0108
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0632	0.0632
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.0108	0.104
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.0108	0.104
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.0108	0.0108
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0838	0.8101
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1034	0.1034
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.0108	0.104
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.0108	0.0108
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.0108	0.0173
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0108	0.0108
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.0108	0.0173
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.0108	0.104
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1034	0.1034
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.0108	0.0108
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.0108	0.0173
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0112	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0112	0.0112
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1176	0.1176
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.0108	0.0173
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.0108	0.0108
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0108	0.0108
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1034	0.166
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.0108	0.0173
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.6232	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1034	0.166
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.0108	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.0108	0.0108
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.0108	0.0108
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0112	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1176	0.1176
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.0108	0.0108
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.0108	0.0108
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0108	0.0108
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0112	0.5
Onchocerca volvulus		0.0048	0.0838	0.0738
Brugia malayi	nuclear receptor NHR-88	0.0023	0.0108	0.0108

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 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: CHEMBL2133241

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 1707601