Detailed information for compound 1383615

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  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

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.