Detailed information for compound 1876513

Basic information

Technical information
  • TDR Targets ID: 1876513
  • Name: 3-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimetho xyphenyl)methylideneamino]propanamide
  • MW: 426.509 | Formula: C23H30N4O4
  • H donors: 1 H acceptors: 1 LogP: 2.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=N/NC(=O)CCN2CCN(CC2)c2ccccc2)cc(c1OC)OC
  • InChi: 1S/C23H30N4O4/c1-29-20-15-18(16-21(30-2)23(20)31-3)17-24-25-22(28)9-10-26-11-13-27(14-12-26)19-7-5-4-6-8-19/h4-8,15-17H,9-14H2,1-3H3,(H,25,28)/b24-17+
  • InChiKey: MGDNUOJVDAESMD-JJIBRWJFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]propanamide
  • 3-(4-phenyl-1-piperazinyl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]propanamide
  • 3-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimethoxybenzylidene)amino]propionamide
  • T0509-7861
  • MLS000391650
  • SMR000260685

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0296 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0668 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.4422
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1333 0.4271
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0652 0.0529
Loa Loa (eye worm) hypothetical protein 0.0146 0.7043 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0652 0.0368
Schistosoma mansoni hypothetical protein 0.0041 0.1766 0.1766
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1153 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2725 1
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1153 0.3529
Schistosoma mansoni hypothetical protein 0.0019 0.0652 0.0652
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.4422
Loa Loa (eye worm) hypothetical protein 0.0015 0.0454 0.0235
Loa Loa (eye worm) hypothetical protein 0.0019 0.0652 0.0529
Loa Loa (eye worm) RecQ helicase 0.0029 0.1153 0.1271
Echinococcus multilocularis lamin dm0 0.0033 0.1333 0.1069
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0652 0.0368
Schistosoma mansoni hypothetical protein 0.0019 0.0652 0.0652
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0976 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0572 0.0409
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1333 0.1538
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.068 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0484 0.028
Schistosoma mansoni lamin 0.0033 0.1333 0.1333
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0484 0.0195
Schistosoma mansoni lamin 0.0033 0.1333 0.1333
Loa Loa (eye worm) hypothetical protein 0.006 0.2725 0.3601
Loa Loa (eye worm) hypothetical protein 0.0033 0.1333 0.1538
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1766 0.6051
Loa Loa (eye worm) hypothetical protein 0.0032 0.1303 0.1493
Schistosoma mansoni hypothetical protein 0.0205 1 1
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0473 1
Echinococcus multilocularis lamin 0.0033 0.1333 0.1069
Schistosoma mansoni hypothetical protein 0.0019 0.0652 0.0652
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2725 0.3601
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0572 0.1136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0652 0.0368
Schistosoma mansoni DNA helicase recq5 0.0012 0.0296 0.0296
Schistosoma mansoni hypothetical protein 0.0019 0.0652 0.0652
Echinococcus granulosus lamin 0.0033 0.1333 0.1069
Echinococcus granulosus intermediate filament protein 0.0033 0.1333 0.1069
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1153 0.0884
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0652 0.1468
Echinococcus granulosus bloom syndrome protein 0.0029 0.1153 0.0884
Onchocerca volvulus 0.0033 0.1333 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0846 0.0846
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2725 1
Echinococcus granulosus lamin dm0 0.0033 0.1333 0.1069
Brugia malayi intermediate filament protein 0.0033 0.1333 0.4271
Schistosoma mansoni intermediate filament proteins 0.0033 0.1333 0.1333
Echinococcus granulosus GPCR family 2 0.0019 0.0652 0.0368
Loa Loa (eye worm) hypothetical protein 0.0015 0.0454 0.0235
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0652 0.0368
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1153 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1333 0.1538
Echinococcus multilocularis GPCR, family 2 0.0019 0.0652 0.0368
Echinococcus multilocularis musashi 0.0033 0.1333 0.1069
Onchocerca volvulus 0.0033 0.1333 0.5
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0652 0.1468
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0484 0.0195
Schistosoma mansoni DNA helicase recq1 0.0012 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0041 0.1766 0.2179
Echinococcus multilocularis geminin 0.0205 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 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) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 6.5733 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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

Bibliographic References

No literature references available for this target.

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