Detailed information for compound 875176

Basic information

Technical information
  • TDR Targets ID: 875176
  • Name: N-(4-ethylphenyl)-2-[3-[(4-fluorophenyl)methy l]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4 -yl]acetamide
  • MW: 459.512 | Formula: C27H26FN3O3
  • H donors: 1 H acceptors: 3 LogP: 4.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)CC1C(=O)N(C(=O)N1Cc1ccc(cc1)F)c1cccc(c1)C
  • InChi: 1S/C27H26FN3O3/c1-3-19-9-13-22(14-10-19)29-25(32)16-24-26(33)31(23-6-4-5-18(2)15-23)27(34)30(24)17-20-7-11-21(28)12-8-20/h4-15,24H,3,16-17H2,1-2H3,(H,29,32)
  • InChiKey: XVORQWBRRMQUOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-ethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]acetamide
  • N-(4-ethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxo-4-imidazolidinyl]acetamide
  • N-(4-ethylphenyl)-2-[3-(4-fluorobenzyl)-2,5-diketo-1-(3-methylphenyl)imidazolidin-4-yl]acetamide
  • N-(4-ethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxo-imidazolidin-4-yl]ethanamide
  • STK196577
  • E750-0529
  • NCGC00124920-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Entamoeba histolytica hypothetical protein 0.0109 0.0298 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.006 0.0708
Onchocerca volvulus 0.0048 0.0074 0.0961
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.006 0.0056
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0036 0.0031 0.0342
Loa Loa (eye worm) hypothetical protein 0.0054 0.0095 0.1146
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0054 0.0095 0.1146
Echinococcus multilocularis GPCR, family 2 0.0048 0.0074 0.007
Loa Loa (eye worm) hypothetical protein 0.0072 0.0161 0.1984
Loa Loa (eye worm) hypothetical protein 0.0054 0.0095 0.1146
Schistosoma mansoni hypothetical protein 0.0109 0.0298 0.0294
Schistosoma mansoni hypothetical protein 0.0047 0.007 0.0066
Schistosoma mansoni survival motor neuron protein 0.0047 0.007 0.0066
Brugia malayi Pre-SET motif family protein 0.0201 0.0634 0.7948
Mycobacterium ulcerans hypothetical protein 0.0072 0.0161 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.0661 0.8292
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0057 0.0414
Schistosoma mansoni hypothetical protein 0.0104 0.0277 0.0273
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0106 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0057 0.0414
Schistosoma mansoni microtubule-associated protein tau 0.2766 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0161 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0161 1
Leishmania major hypothetical protein, conserved 0.0043 0.0057 0.22
Brugia malayi Hint module family protein 0.0209 0.0661 0.8292
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.0634 0.7948
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0161 0.4937
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0106 0.1291
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0106 0.0102
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0161 0.1984
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0161 0.1216
Onchocerca volvulus 0.0072 0.0161 0.215
Brugia malayi jmjC domain containing protein 0.0057 0.0106 0.1291
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.0056
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0057 0.4873
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0057 0.0053
Echinococcus granulosus tumor protein p63 0.0329 0.1099 0.1099
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0057 0.4873
Toxoplasma gondii ABC1 family protein 0.0043 0.0057 0.6333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.006 0.0056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.006 0.006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0084 0.0314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.0452 0.5653
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0161 1
Echinococcus granulosus expressed protein 0.0036 0.0031 0.0031
Schistosoma mansoni rotamase 0.0036 0.0031 0.0027
Loa Loa (eye worm) hypothetical protein 0.0209 0.0661 0.8292
Brugia malayi hypothetical protein 0.0034 0.0021 0.0214
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.0298 0.0294
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.0797 1
Trichomonas vaginalis esterase, putative 0.0043 0.0057 0.0414
Loa Loa (eye worm) hypothetical protein 0.0054 0.0095 0.1146
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0161 0.4937
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0057 0.0414
Loa Loa (eye worm) beta-lactamase 0.0043 0.0057 0.0672
Loa Loa (eye worm) hypothetical protein 0.0052 0.0088 0.1061
Brugia malayi Hint module family protein 0.0209 0.0661 0.8292
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0161 1
Echinococcus granulosus Desert hedgehog protein 0.0769 0.2707 0.2707
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.0298 0.0294
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0088 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.0452 0.5653
Entamoeba histolytica hypothetical protein 0.0109 0.0298 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0088 1
Echinococcus multilocularis expressed protein 0.0036 0.0031 0.0027
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0161 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0074 0.0879
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0161 0.1216
Leishmania major hypothetical protein, conserved 0.0052 0.0088 0.4514
Schistosoma mansoni hypothetical protein 0.056 0.1944 0.1941
Brugia malayi hypothetical protein 0.0109 0.0298 0.3709
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0161 1
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0028 0.2847
Trichomonas vaginalis set domain proteins, putative 0.0229 0.0736 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.0797 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0074 0.007
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0057 0.0414
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.006 0.0708
Onchocerca volvulus 0.0047 0.007 0.0901
Onchocerca volvulus 0.0043 0.0057 0.0728
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0004 0.0004
Echinococcus multilocularis hedgehog 0.0769 0.2707 0.2704
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0161 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0913 1
Echinococcus multilocularis microtubule associated protein 2 0.2766 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0161 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0088 1
Loa Loa (eye worm) hypothetical protein 0.023 0.0739 0.9272
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0084 0.0314
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.0095 0.0439
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0048 0.0074 0.0879
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.0739 0.0735
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0084 0.0314
Loa Loa (eye worm) hypothetical protein 0.0152 0.0452 0.5653
Schistosoma mansoni hypothetical protein 0.0048 0.0074 0.007
Entamoeba histolytica hypothetical protein 0.0109 0.0298 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0161 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0106 0.0102
Schistosoma mansoni hypothetical protein 0.0048 0.0074 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0031 0.0044
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.0095 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.0452 0.5653
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0088 0.926
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0161 0.1984
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.0056
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0074 0.007
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0057 0.0057
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0277 0.3443
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0057 0.0414
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.0056
Brugia malayi MH2 domain containing protein 0.0246 0.0797 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0057 0.0672
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0074 0.0074
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.007 0.0832
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0161 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0084 0.0314
Echinococcus granulosus survival motor neuron protein 1 0.023 0.0739 0.0739
Onchocerca volvulus 0.0043 0.0057 0.0728
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.0095 1
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0074 0.0879
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0161 0.1984
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0106 0.0102
Loa Loa (eye worm) hypothetical protein 0.0072 0.0161 0.1984
Brugia malayi beta-lactamase family protein 0.0043 0.0057 0.0672
Schistosoma mansoni hypothetical protein 0.0048 0.0074 0.007
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0057 0.0053
Entamoeba histolytica hypothetical protein 0.0109 0.0298 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.0095 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0161 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0057 0.4873
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0074 0.007
Echinococcus multilocularis tumor protein p63 0.0329 0.1099 0.1096
Onchocerca volvulus 0.0229 0.0736 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0074 0.0887
Trichomonas vaginalis rotamase, putative 0.0036 0.0031 0.0044
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0088 1
Onchocerca volvulus 0.0043 0.0057 0.0728
Echinococcus granulosus GPCR family 2 0.0048 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0054 0.0095 0.1146
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0057 0.5864
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0161 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0106 0.0102
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0095 0.3613
Brugia malayi beta-lactamase 0.0043 0.0057 0.0672
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0074 0.0074
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0057 0.0053
Brugia malayi beta-lactamase family protein 0.0043 0.0057 0.0672
Brugia malayi jmjC domain containing protein 0.0057 0.0106 0.1291
Loa Loa (eye worm) hypothetical protein 0.0104 0.0277 0.3443
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0036 0.0031 0.0342
Brugia malayi hypothetical protein 0.0052 0.0088 0.1061
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0048 0.0074 0.007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0074 0.0879
Loa Loa (eye worm) hypothetical protein 0.0072 0.0161 0.1984
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0672
Brugia malayi hypothetical protein 0.023 0.0739 0.9272
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0106 0.0102
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0057 0.0672
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0161 0.4937

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 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) 25.1189 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 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

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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