Detailed information for compound 1364425

Basic information

Technical information
  • TDR Targets ID: 1364425
  • Name: (5Z)-5-[(4-fluorophenyl)methylidene]-2-(4-met hylphenyl)-1H-imidazol-4-one
  • MW: 280.296 | Formula: C17H13FN2O
  • H donors: 1 H acceptors: 1 LogP: 3.45 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1=N/C(=C\c2ccc(cc2)F)/C(=O)N1
  • InChi: 1S/C17H13FN2O/c1-11-2-6-13(7-3-11)16-19-15(17(21)20-16)10-12-4-8-14(18)9-5-12/h2-10H,1H3,(H,19,20,21)/b15-10-
  • InChiKey: BESSZOKKROGGSB-GDNBJRDFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[(4-fluorophenyl)methylene]-2-(4-methylphenyl)-1H-imidazol-4-one
  • (5Z)-5-(4-fluorobenzylidene)-2-(4-methylphenyl)-1H-imidazol-4-one
  • ZINC01441493
  • A3410/0144612

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1098 0.2446
Schistosoma mansoni hypothetical protein 0.0205 0.1743 0.4411
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0203 0.0452
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0167 0.1336 0.4885
Brugia malayi Pre-SET motif family protein 0.0251 0.224 0.499
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0129 0.0932 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0103 0.0659 0.6641
Schistosoma mansoni alpha-l-fucosidase 0.038 0.3607 0.9131
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.224 0.499
Mycobacterium ulcerans alpha-L-fucosidase 0.038 0.3607 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0462 0.449 0.4102
Trichomonas vaginalis maltase-glucoamylase, putative 0.0103 0.0659 0.2166
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0103 0.0659 0.1467
Schistosoma mansoni alpha glucosidase 0.0103 0.0659 0.1668
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0063 0.0228 0.0509
Echinococcus granulosus glycogen debranching enzyme 0.0129 0.0932 0.0713
Echinococcus multilocularis lysosomal alpha glucosidase 0.0462 0.449 0.4102
Trypanosoma cruzi hypothetical protein, conserved 0.0103 0.0659 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1098 0.2446
Echinococcus multilocularis glycogen debranching enzyme 0.0129 0.0932 0.0292
Echinococcus granulosus fucosidase alpha L 1 tissue 0.038 0.3607 0.7695
Schistosoma mansoni hypothetical protein 0.0205 0.1743 0.4411
Loa Loa (eye worm) alpha-L-fucosidase 0.038 0.3607 0.8033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0203 0.0452
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0129 0.0932 0.3262
Trichomonas vaginalis alpha-glucosidase, putative 0.0103 0.0659 0.2166
Brugia malayi Alpha-L-fucosidase family protein 0.038 0.3607 0.8033
Loa Loa (eye worm) hypothetical protein 0.0052 0.0119 0.0265
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0452
Trichomonas vaginalis alpha-glucosidase, putative 0.0103 0.0659 0.2166
Schistosoma mansoni hypothetical protein 0.0093 0.0551 0.1395
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2611 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0932 0.2075
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0103 0.0659 0.6641
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0129 0.0932 0.2075
Entamoeba histolytica glycogen debranching enzyme, putative 0.0129 0.0932 1
Trypanosoma cruzi hypothetical protein, conserved 0.0103 0.0659 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0103 0.0659 0.2166
Trichomonas vaginalis alpha-glucosidase, putative 0.0103 0.0659 0.2166
Echinococcus multilocularis geminin 0.0205 0.1743 0.116
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.038 0.3607 0.3156
Onchocerca volvulus 0.0286 0.2611 0.7449
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0462 0.449 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0103 0.0659 0.1467
Brugia malayi MH2 domain containing protein 0.0144 0.1098 0.2446
Schistosoma mansoni hypothetical protein 0.0165 0.1323 0.335
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0103 0.0659 0.2166
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0129 0.0932 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0103 0.0659 0.2166
Schistosoma mansoni alpha-glucosidase 0.0412 0.395 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0167 0.1336 0.4885
Brugia malayi Glycosyl hydrolases family 31 protein 0.0462 0.449 1
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0265 0.0585
Leishmania major alpha glucosidase II subunit, putative 0.0103 0.0659 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0462 0.449 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0129 0.0932 0.3262
Schistosoma mansoni alpha-glucosidase 0.0412 0.395 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0103 0.0659 0.2166
Echinococcus granulosus geminin 0.0205 0.1743 0.2829
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0203 0.0452
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0103 0.0659 0.2166
Trypanosoma brucei glucosidase, putative 0.0103 0.0659 1
Onchocerca volvulus 0.0366 0.3464 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0052 0.0119 0.0265

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.581 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) 16.3535 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) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 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
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Homo sapiens 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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