Detailed information for compound 1353069

Basic information

Technical information
  • TDR Targets ID: 1353069
  • Name: 1-[(4-fluorophenyl)methyl]imidazolidin-2-one
  • MW: 194.206 | Formula: C10H11FN2O
  • H donors: 1 H acceptors: 1 LogP: 0.92 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN1Cc1ccc(cc1)F
  • InChi: 1S/C10H11FN2O/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-4H,5-7H2,(H,12,14)
  • InChiKey: OOHDFNLJKBUHRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-fluorophenyl)methyl]-2-imidazolidinone
  • 1-(4-fluorobenzyl)imidazolidin-2-one
  • MLS000520931
  • SMR000131340

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0144 0.3835 0.6886
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.463 0.463
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0275 0.0532
Schistosoma mansoni hypothetical protein 0.0016 0.0252 0.0706
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1238 0.1238
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0303 0.0585
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0471 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.463 0.463
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1348 0.3785
Loa Loa (eye worm) hypothetical protein 0.0024 0.0471 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.2484 1
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0134 0.3562 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0471 1
Echinococcus multilocularis troponin i 0.0108 0.2833 0.6157
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0079 0.0171
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.2484 0.5397
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0108 0.2833 0.5088
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3835 0.6886
Brugia malayi Smad1 0.001 0.0079 0.0141
Brugia malayi MH1 domain containing protein 0.001 0.0079 0.0141
Schistosoma mansoni smad1 5 8 and 0.001 0.0079 0.0221
Schistosoma mansoni hypothetical protein 0.0108 0.2833 0.7955
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.2484 0.2484
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.2484 0.5397
Schistosoma mansoni troponin I 0.0108 0.2833 0.7955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1348 0.3785
Echinococcus granulosus oncosphere protein Tso22e 0.0134 0.3562 0.7741
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0172 0.4602 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0303 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1238 0.1238
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0471 0.091
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0471 0.091
Brugia malayi MH2 domain containing protein 0.001 0.0079 0.0141
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.0252 0.0706
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0471 0.0471
Schistosoma mansoni Smad4 0.001 0.0079 0.0221
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1218 0.2188
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1348 0.293
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.2484 0.2484
Loa Loa (eye worm) hypothetical protein 0.0018 0.0303 0.0543
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0079 0.0171
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0172 0.4602 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1348 0.293
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0471 0.1897
Brugia malayi MH1 domain containing protein 0.001 0.0079 0.0141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0471 0.0846
Echinococcus granulosus troponin i 0.0108 0.2833 0.6157
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0471 0.0846
Loa Loa (eye worm) Smad1 0.001 0.0079 0.0141
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0471 0.091
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0252 0.0452
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0275 0.0532
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1131 0.4552
Schistosoma mansoni troponin I 0.0108 0.2833 0.7955
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.2484 0.6973
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0471 0.091
Trypanosoma brucei polo-like protein kinase 0.0096 0.2484 0.2484
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.463 0.463
Loa Loa (eye worm) hypothetical protein 0.0064 0.1601 0.2875
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0471 0.091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0771 0.1384
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1348 0.293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0275 0.0532
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0303 1
Onchocerca volvulus Troponin I homolog 0.0108 0.2833 0.7955
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.2484 0.446
Schistosoma mansoni smad1 5 8 and 0.001 0.0079 0.0221
Brugia malayi MH2 domain containing protein 0.001 0.0079 0.0141
Echinococcus granulosus smad 0.001 0.0079 0.0171
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.0134 0.3562 0.7741
Echinococcus multilocularis Smad4 0.001 0.0079 0.0171
Loa Loa (eye worm) troponin T 0.0064 0.1601 0.2875
Echinococcus multilocularis smad 0.001 0.0079 0.0171
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5175 1
Schistosoma mansoni hypothetical protein 0.0016 0.0252 0.0706
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0079 0.0141
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0471 0.0846
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.2484 0.446
Brugia malayi Troponin family protein 0.0108 0.2833 0.5088
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0771 0.1384
Loa Loa (eye worm) troponin 0.0064 0.1601 0.2875
Schistosoma mansoni hypothetical protein 0.0016 0.0252 0.0706
Loa Loa (eye worm) hypothetical protein 0.0206 0.5568 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0079 0.0171
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0471 0.1897
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Loa Loa (eye worm) troponin I 0.0108 0.2833 0.5088
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1238 0.1238
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1238 0.1238
Loa Loa (eye worm) hypothetical protein 0.0018 0.0303 0.0543
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1551 0.1551
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0471 0.091
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0471 0.0471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1348 0.3785
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0079 0.0221
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0079 0.0141
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1348 0.2421
Loa Loa (eye worm) hypothetical protein 0.0016 0.0252 0.0452
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1218 0.2188
Mycobacterium ulcerans hypothetical protein 0.0192 0.5175 1
Brugia malayi Troponin T 0.0064 0.1601 0.2875
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0252 0.0452
Schistosoma mansoni troponin t invertebrate 0.0134 0.3562 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0252 0.0452
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1131 0.4552
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0252 0.0547
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0064 0.1601 0.4495
Giardia lamblia Kinase, PLK 0.0096 0.2484 0.5
Toxoplasma gondii hypothetical protein 0.0059 0.1449 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.2484 0.2484
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1348 0.2421
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0252 0.0547
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0303 0.0585
Brugia malayi hypothetical protein 0.0064 0.1601 0.2875
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0471 0.091
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0275 0.0532
Brugia malayi Troponin T 0.0064 0.1601 0.2875
Schistosoma mansoni smad1 5 8 and 0.001 0.0079 0.0221
Schistosoma mansoni hypothetical protein 0.0035 0.0771 0.2164
Brugia malayi Troponin T 0.0064 0.1601 0.2875
Schistosoma mansoni kinase 0.0049 0.1166 0.3273
Brugia malayi Troponin I 0.0108 0.2833 0.5088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1348 0.293
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0206 0.5568 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3835 0.6886
Schistosoma mansoni troponin I 0.0108 0.2833 0.7955
Loa Loa (eye worm) hypothetical protein 0.0018 0.0303 0.0543
Schistosoma mansoni smad 0.001 0.0079 0.0221
Onchocerca volvulus 0.0024 0.0471 0.1323
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0471 0.091
Schistosoma mansoni troponin I 0.0108 0.2833 0.7955
Loa Loa (eye worm) hypothetical protein 0.0018 0.0303 0.0543
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0471 0.0846
Echinococcus granulosus GPCR family 2 0.0016 0.0252 0.0547
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0471 0.1897
Loa Loa (eye worm) hypothetical protein 0.0108 0.2833 0.5088
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0303 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0471 0.091
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0079 0.0171
Loa Loa (eye worm) hypothetical protein 0.0024 0.0471 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Echinococcus granulosus Smad4 0.001 0.0079 0.0171
Mycobacterium ulcerans hypothetical protein 0.0024 0.0471 0.091
Loa Loa (eye worm) hypothetical protein 0.0018 0.0303 0.0543
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.2484 0.6973
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2484 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0252 0.0547

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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
Potency (functional) 19.9526 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 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

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.