TDR Targets

Basic information

Technical information

TDR Targets ID: 1383615
Name: 3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl) prop-2-en-1-one
MW: 264.751 | Formula: C14H17ClN2O
H donors: 0 H acceptors: 1 LogP: 2.25 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)C(=O)/C=C/c1cccc(c1)Cl
InChi: 1S/C14H17ClN2O/c1-16-7-9-17(10-8-16)14(18)6-5-12-3-2-4-13(15)11-12/h2-6,11H,7-10H2,1H3/b6-5+
InChiKey: QJGJGHRKNSMXCA-AATRIKPKSA-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

(E)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
3-(3-chlorophenyl)-1-(4-methyl-1-piperazinyl)prop-2-en-1-one
(E)-3-(3-chlorophenyl)-1-(4-methyl-1-piperazinyl)prop-2-en-1-one
IVK/9112426

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
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0384	0.3391	1
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0134	0.0693	0.2043
Echinococcus granulosus	GPCR family 2	0.015	0.0867	0.2557
Plasmodium vivax	hypothetical protein, conserved	0.007	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.015	0.0867	0.2557
Schistosoma mansoni	pyruvate dehydrogenase	0.0362	0.316	0.9319
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0475	0.4377	1
Echinococcus multilocularis	tar DNA binding protein	0.0352	0.3053	0.9005
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.007	0	0.5
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0384	0.3391	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0352	0.3053	0.6976
Brugia malayi	RNA recognition motif domain containing protein	0.0352	0.3053	0.6976
Loa Loa (eye worm)	latrophilin receptor protein 2	0.015	0.0867	0.1981
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0384	0.3391	1
Echinococcus multilocularis	GPCR, family 2	0.015	0.0867	0.2557
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.0134	0.0693	0.7501
Schistosoma mansoni	pyruvate dehydrogenase	0.0384	0.3391	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0475	0.4377	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0362	0.316	0.9319
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.007	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0352	0.3053	0.9005
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0384	0.3391	0.7747
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0925	0.9242	1
Echinococcus granulosus	tar DNA binding protein	0.0352	0.3053	0.9005
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0384	0.3391	1
Schistosoma mansoni	hypothetical protein	0.015	0.0867	0.2557
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0134	0.0693	0.2043
Schistosoma mansoni	hypothetical protein	0.015	0.0867	0.2557
Schistosoma mansoni	hypothetical protein	0.015	0.0867	0.2557
Loa Loa (eye worm)	hypothetical protein	0.0475	0.4377	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0257	0.2018	0.461
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.007	0	0.5
Brugia malayi	RNA binding protein	0.0352	0.3053	0.6976
Schistosoma mansoni	copper/topaquinone oxidase	0.0286	0.2336	0.6888
Brugia malayi	TAR-binding protein	0.0352	0.3053	0.6976
Brugia malayi	kinase, mitochondrial precursor	0.0384	0.3391	0.7747
Plasmodium falciparum	protoporphyrinogen oxidase	0.007	0	0.5
Schistosoma mansoni	hypothetical protein	0.015	0.0867	0.2557
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.015	0.0867	0.2557
Echinococcus granulosus	amiloride sensitive amine oxidase	0.0286	0.2336	0.6888
Onchocerca volvulus		0.007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0325	0.2752	0.6288
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.015	0.0867	0.2557
Schistosoma mansoni	hypothetical protein	0.0286	0.2336	0.6888
Echinococcus multilocularis	amiloride sensitive amine oxidase	0.0286	0.2336	0.6888
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0384	0.3391	1
Loa Loa (eye worm)	RNA binding protein	0.0352	0.3053	0.6976
Plasmodium vivax	hypothetical protein, conserved	0.007	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.015	0.0867	0.1981
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.015	0.0867	0.2557
Loa Loa (eye worm)	hypothetical protein	0.015	0.0867	0.1981
Chlamydia trachomatis	protoporphyrinogen oxidase	0.007	0	0.5
Brugia malayi	MH2 domain containing protein	0.0257	0.2018	0.461
Brugia malayi	latrophilin 2 splice variant baaae	0.0325	0.2752	0.6288
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0995	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0352	0.3053	0.9005
Schistosoma mansoni	hypothetical protein	0.0325	0.2752	0.8117
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.007	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0352	0.3053	0.9005
Loa Loa (eye worm)	transcription factor SMAD2	0.0257	0.2018	0.461
Loa Loa (eye worm)	TAR-binding protein	0.0352	0.3053	0.6976
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0384	0.3391	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0475	0.4377	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.015	0.0867	0.1981
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0155	0.0923	1
Schistosoma mansoni	tar DNA-binding protein	0.0352	0.3053	0.9005
Schistosoma mansoni	tar DNA-binding protein	0.0352	0.3053	0.9005
Toxoplasma gondii	hypothetical protein	0.0145	0.0805	0.8717

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	56.2341 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

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: CHEMBL1536611

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1383615