Detailed information for compound 1450034

Basic information

Technical information
  • TDR Targets ID: 1450034
  • Name: 1-(2-fluorobenzoyl)imidazolidin-2-one
  • MW: 208.189 | Formula: C10H9FN2O2
  • H donors: 1 H acceptors: 2 LogP: 0.87 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN1C(=O)c1ccccc1F
  • InChi: 1S/C10H9FN2O2/c11-8-4-2-1-3-7(8)9(14)13-6-5-12-10(13)15/h1-4H,5-6H2,(H,12,15)
  • InChiKey: PKGFNSYNKPGEGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2-fluorophenyl)-oxomethyl]-2-imidazolidinone
  • 1-(2-fluorophenyl)carbonylimidazolidin-2-one
  • A2979/0125581
  • Imidazolidin-2-one, 1-(2-fluorobenzoyl)-
  • ZINC00103964
  • MLS000045644
  • SMR000027601

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.0976 0.0639
Loa Loa (eye worm) hypothetical protein 0.0044 0.0343 0.0356
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.0825 0.1339
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0222 0.3537 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0079 0.0976 0.0872
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0562 0.9634 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0519 0.0539
Mycobacterium ulcerans pyruvate carboxylase 0.0222 0.3537 1
Onchocerca volvulus 0.0245 0.3945 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0583 1 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0079 0.0976 0.2759
Leishmania major carboxylase, putative 0.0222 0.3537 0.3537
Loa Loa (eye worm) hypothetical protein 0.0154 0.2325 0.2414
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.0825 0.072
Brugia malayi Pre-SET motif family protein 0.0215 0.3413 0.3542
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.005 0.046 0.0103
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.036 0.0249
Brugia malayi CHE-14 protein 0.0044 0.0343 0.0356
Loa Loa (eye worm) inositol-1 0.0045 0.036 0.0374
Loa Loa (eye worm) hypothetical protein 0.0071 0.0825 0.0857
Schistosoma mansoni hypothetical protein 0.0042 0.0315 0.0204
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1457 0.1358
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.036 0.0249
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.036 0.2605
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0343 0.0356
Loa Loa (eye worm) hypothetical protein 0.0031 0.0114 0.0118
Echinococcus granulosus expressed conserved protein 0.0096 0.1273 0.119
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.1383 1
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0079 0.0976 0.2759
Toxoplasma gondii carbamoylphosphate synthetase 0.005 0.046 0.035
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0079 0.0976 0.2759
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.0976 0.1087
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0222 0.3537 0.561
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0079 0.0976 0.0872
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.036 0.0048
Schistosoma mansoni carbamoyl-phosphate synthetase 0.005 0.046 0.035
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.1383 0.1302
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0079 0.0976 0.2759
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0222 0.3537 0.3537
Echinococcus multilocularis muscleblind protein 0.0154 0.2325 0.2237
Brugia malayi Pre-SET motif family protein 0.0031 0.0114 0.0118
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.0976 0.1087
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0277 0.0782
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.036 0.0048
Chlamydia trachomatis biotin carboxylase 0.0202 0.3172 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0422 0.7115 1
Schistosoma mansoni hypothetical protein 0.0042 0.0315 0.0204
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.2165 0.2091
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0079 0.0976 0.0891
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.1383 0.1436
Schistosoma mansoni inositol monophosphatase 0.0045 0.036 0.0249
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0222 0.3537 0.3477
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.005 0.046 0.0495
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0222 0.3537 1
Echinococcus multilocularis protein dispatched 1 0.005 0.0454 0.0344
Echinococcus granulosus muscleblind protein 0.0154 0.2325 0.2253
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0343 0.0232
Loa Loa (eye worm) hypothetical protein 0.0102 0.1383 0.1436
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.005 0.046 0.13
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.036 0.1018
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0079 0.0976 0.2759
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0343 0.0252
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0222 0.3537 1
Schistosoma mansoni pyruvate carboxylase 0.0222 0.3537 0.3463
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0422 0.7115 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.1383 0.1284
Schistosoma mansoni inositol monophosphatase 0.0045 0.036 0.0249
Trypanosoma brucei unspecified product 0.0146 0.2175 0.1883
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0099 0.1341 0.9699
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0079 0.0976 0.1087
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0079 0.0976 0.2759
Schistosoma mansoni aspartate carbamoyltransferase 0.005 0.046 0.035
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0222 0.3537 0.3296
Trypanosoma brucei acetyl-CoA carboxylase 0.0583 1 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0099 0.1341 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.036 0.0269
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.0825 0.072
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0277 0.0782
Toxoplasma gondii melibiase subfamily protein 0.0106 0.1457 0.1358
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.2165 0.2075
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0222 0.3539 0.3465
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.005 0.046 0.0314
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1457 0.1358
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0079 0.0976 0.2759
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0222 0.3537 1
Brugia malayi Muscleblind-like protein 0.0154 0.2325 0.2414
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0583 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1411 0.1313
Schistosoma mansoni carbamoyl-phosphate synthetase 0.005 0.046 0.035
Schistosoma mansoni acetyl-CoA carboxylase 0.0583 1 1
Schistosoma mansoni patched 1 0.0044 0.0343 0.0232
Leishmania major acetyl-CoA carboxylase, putative 0.0583 1 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0222 0.3537 1
Echinococcus multilocularis muscleblind protein 1 0.0154 0.2325 0.2237
Onchocerca volvulus 0.0031 0.0114 0.0288
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0106 0.1457 0.1358
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0079 0.0976 0.2759
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0079 0.0976 0.1937
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.036 0.0048
Trichomonas vaginalis set domain proteins, putative 0.0245 0.3945 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0106 0.1457 0.1358
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0079 0.0976 0.2759
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.005 0.046 0.0176
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.3413 0.3542
Trypanosoma cruzi acetyl-CoA carboxylase 0.0361 0.6024 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0222 0.3537 1
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0343 0.0252
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0222 0.3537 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0583 1 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0222 0.3537 0.3296
Schistosoma mansoni hypothetical protein 0.0042 0.0315 0.0204
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1457 0.1358
Schistosoma mansoni hypothetical protein 0.0042 0.0315 0.0204
Echinococcus multilocularis expressed conserved protein 0.0096 0.1273 0.1172
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0106 0.1457 0.1376
Brugia malayi Melibiase family protein 0.0071 0.0825 0.0857
Loa Loa (eye worm) hypothetical protein 0.0154 0.2325 0.2414
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.1457 0.1358
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0222 0.3539 0.3465
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.036 0.036
Echinococcus multilocularis protein patched 0.0044 0.0343 0.0232
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.005 0.046 0.0176
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0114 0.0021
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0079 0.0976 0.2759
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0222 0.3537 0.561
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0222 0.3537 0.3463
Leishmania major carbamoyl-phosphate synthase, putative 0.005 0.046 0.046
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0079 0.0976 0.0872
Brugia malayi Inositol-1 0.0045 0.036 0.0374
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0079 0.0976 0.2759
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0079 0.0976 0.0976
Brugia malayi Carboxyl transferase domain containing protein 0.0562 0.9634 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0079 0.0976 0.0976
Toxoplasma gondii pyruvate carboxylase 0.0222 0.3537 0.3463

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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