Detailed information for compound 1451098

Basic information

Technical information
  • TDR Targets ID: 1451098
  • Name: (Z)-2-methyl-3-phenyl-1-(4-phenylpiperazin-1- yl)prop-2-en-1-one
  • MW: 306.401 | Formula: C20H22N2O
  • H donors: 0 H acceptors: 1 LogP: 3.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C(=C\c1ccccc1)/C)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C20H22N2O/c1-17(16-18-8-4-2-5-9-18)20(23)22-14-12-21(13-15-22)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3/b17-16-
  • InChiKey: MQINQNPGLFXMEG-MSUUIHNZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-methyl-3-phenyl-1-(4-phenyl-1-piperazinyl)prop-2-en-1-one
  • ZINC00465523
  • MLS001181070
  • SMR000502249
  • STK024054

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
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
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.5114 0.5114
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.2747 0.2747
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.5739 0.4744
Loa Loa (eye worm) hypothetical protein 0.0082 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.2389 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9203 0.9203
Loa Loa (eye worm) hypothetical protein 0.0049 0.5114 0.5114
Echinococcus granulosus tar DNA binding protein 0.0076 0.9203 0.9203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.5114 0.5114
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5987 0.5987
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.5739 0.5739
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.5987 0.5987
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 1 0.5
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.2389 0.0611
Loa Loa (eye worm) hypothetical protein 0.0034 0.2747 0.2747
Echinococcus granulosus flap endonuclease 1 0.0031 0.2389 0.2389
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5987 0.5987
Brugia malayi Flap endonuclease-1 0.0031 0.2389 0.2389
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 1 1
Brugia malayi RNA binding protein 0.0076 0.9203 0.9203
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.5987 0.5987
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.9203 0.9203
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.2389 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9203 0.9203
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.9203 0.9203
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.5987 0.5987
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.9203 0.9203
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 1 1
Entamoeba histolytica Flap nuclease, putative 0.0031 0.2389 0.5
Echinococcus multilocularis flap endonuclease 1 0.0031 0.2389 0.2389
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.5987 0.5987
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 1 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.2389 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.5739 0.5739
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9203 0.9203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.5987 0.5987
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.2389 0.5
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.2389 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9203 0.9203
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 1 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.5739 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.5987 0.5987
Loa Loa (eye worm) RNA binding protein 0.0076 0.9203 0.9203
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.5987 0.5987
Schistosoma mansoni flap endonuclease-1 0.0028 0.1932 0.1932
Echinococcus multilocularis tar DNA binding protein 0.0076 0.9203 0.9203
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.2389 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.5114 0.5114
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.5739 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.9203 0.9203
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.2389 0.2389
Schistosoma mansoni hypothetical protein 0.0034 0.2747 0.2747
Brugia malayi TAR-binding protein 0.0076 0.9203 0.9203
Plasmodium falciparum flap endonuclease 1 0.0031 0.2389 0.0611

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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