TDR Targets

Basic information

Technical information

TDR Targets ID: 1226411
Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-in dol-3-yl)ethanone
MW: 337.391 | Formula: C20H20FN3O
H donors: 1 H acceptors: 1 LogP: 3.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1N1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2
InChi: 1S/C20H20FN3O/c21-17-6-2-4-8-19(17)24-11-9-23(10-12-24)14-20(25)16-13-22-18-7-3-1-5-15(16)18/h1-8,13,22H,9-12,14H2
InChiKey: QHMCFYMOWCAJLW-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

2-[4-(2-fluorophenyl)-1-piperazinyl]-1-(1H-indol-3-yl)ethanone
STOCK1S-87110
2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-1-(1H-indol-3-yl)-ethanone
MLS000555928
SMR000147445

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
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0568	0.0456
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0122	0.2036	0.6172
Brugia malayi	Bromodomain containing protein	0.0159	0.2905	0.282
Echinococcus granulosus	fetal alzheimer antigen falz	0.0048	0.0275	0.0835
Schistosoma mansoni	bromodomain containing protein	0.0134	0.2317	0.7027
Schistosoma mansoni	lozenge	0.0058	0.0507	0.1537
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0568	0.0568
Schistosoma mansoni	zinc finger protein	0.0042	0.0126	0.0383
Loa Loa (eye worm)	hypothetical protein	0.015	0.269	0.269
Schistosoma mansoni	hypothetical protein	0.0041	0.0118	0.0357
Schistosoma mansoni	hypothetical protein	0.0044	0.0179	0.0544
Echinococcus multilocularis	Protein lozenge	0.0058	0.0507	0.1537
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.134	0.134
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.134	0.4065
Loa Loa (eye worm)	PHD-finger family protein	0.0044	0.0179	0.0179
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.4548	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.134	0.1237
Echinococcus granulosus	geminin	0.0176	0.3298	1
Echinococcus multilocularis	geminin	0.0176	0.3298	1
Onchocerca volvulus		0.0459	1	0.5
Loa Loa (eye worm)	runx1	0.0058	0.0507	0.0507
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0076	0.0946	0.287
Loa Loa (eye worm)	hypothetical protein	0.0459	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.134	0.4065
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0118	0.0118
Brugia malayi	Bromodomain containing protein	0.0081	0.1065	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1187	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0459	1	1
Schistosoma mansoni	hypothetical protein	0.0176	0.3298	1
Brugia malayi	PHD-finger family protein	0.0053	0.0394	0.0279
Loa Loa (eye worm)	bromodomain containing protein	0.0037	0.0031	0.0031
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.134	0.4065
Loa Loa (eye worm)	hypothetical protein	0.006	0.0568	0.0568
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0122	0.2036	0.6172
Loa Loa (eye worm)	hypothetical protein	0.009	0.1283	0.1283
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0076	0.0946	0.287
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.134	0.4065
Echinococcus granulosus	zinc finger protein	0.0042	0.0126	0.0383
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0048	0.0275	0.0835
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.134	0.4065
Schistosoma mansoni	hypothetical protein	0.0176	0.3298	1
Schistosoma mansoni	lipoxygenase	0.0085	0.1166	0.3535
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0127	0.2138	0.6482
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0127	0.2138	0.6482
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0048	0.0275	0.0835
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.134	0.4065
Echinococcus multilocularis	zinc finger protein	0.0042	0.0126	0.0383
Schistosoma mansoni	lipoxygenase	0.0122	0.2036	0.6172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.134	0.4065
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1069	0.1069
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0568	0.0456

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1349209

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 1226411