Detailed information for compound 1512729

Basic information

Technical information
  • TDR Targets ID: 1512729
  • Name: N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imi dazol-2-yl]sulfanylacetamide
  • MW: 331.365 | Formula: C16H14FN3O2S
  • H donors: 1 H acceptors: 2 LogP: 2.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)CSc1nccn1Cc1ccco1
  • InChi: 1S/C16H14FN3O2S/c17-12-3-5-13(6-4-12)19-15(21)11-23-16-18-7-8-20(16)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21)
  • InChiKey: WKTKHRZIXVMVCZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-2-[1-(2-furylmethyl)imidazol-2-yl]sulfanyl-acetamide
  • N-(4-fluorophenyl)-2-[[1-(2-furylmethyl)-2-imidazolyl]thio]acetamide
  • N-(4-fluorophenyl)-2-[[1-(2-furylmethyl)imidazol-2-yl]thio]acetamide
  • N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-ethanamide
  • ZINC04248857
  • G856-2188
  • NCGC00135999-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0092 0.089 0.2986
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1769 0.5936
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0537 0.566
Schistosoma mansoni alpha-glucosidase 0.0137 0.148 0.1681
Schistosoma mansoni hypothetical protein 0.004 0.0216 0.0175
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.2087 0.22
Brugia malayi Bromodomain containing protein 0.0028 0.0069 0.0232
Schistosoma mansoni hypothetical protein 0.004 0.0216 0.0175
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0236 0.0791
Brugia malayi Metabotropic glutamate receptor precursor. 0.0101 0.1013 0.3401
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Onchocerca volvulus Alhambra homolog 0.0028 0.0069 0.0374
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.8465 0.8454
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0158 0.2683
Onchocerca volvulus 0.0047 0.0305 0.1646
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0158 0.0106
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0389 0.0348
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0537 1
Brugia malayi PHD-finger family protein 0.0028 0.0069 0.0232
Loa Loa (eye worm) hypothetical protein 0.0096 0.095 0.3187
Echinococcus granulosus expressed conserved protein 0.009 0.0874 0.0877
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.095 0.096
Echinococcus multilocularis protein patched 0.0041 0.0236 0.0168
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1769 0.5936
Schistosoma mansoni hypothetical protein 0.004 0.0216 0.0175
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0912 0.0849
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0158 0.0531
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0207 0.2392 0.2589
Loa Loa (eye worm) hypothetical protein 0.0025 0.0019 0.0064
Schistosoma mansoni hypothetical protein 0.0166 0.1851 0.2123
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.095 0.0886
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0158 0.0531
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0026 0.0036 0.012
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0124 0.1317 0.1257
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0184 0.0116
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0537 0.0558
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0207 0.2392 1
Onchocerca volvulus Huntingtin homolog 0.012 0.1255 0.6779
Loa Loa (eye worm) glutamate receptor 0.0101 0.1013 0.3401
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0158 0.0097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0147 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0158 0.2683
Echinococcus multilocularis geminin 0.0166 0.1851 0.1795
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Brugia malayi jmjC domain containing protein 0.0093 0.0912 0.306
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1486 0.1545
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0537 0.1804
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0207 0.2392 0.2589
Brugia malayi mbt repeat family protein 0.0047 0.0305 0.1023
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0464 0.1556
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1967 0.6412
Schistosoma mansoni metabotropic glutamate receptor 0.0085 0.08 0.0871
Loa Loa (eye worm) hypothetical protein 0.0051 0.0356 0.1196
Brugia malayi metabotropic glutamate receptor type 2 0.0049 0.034 0.114
Schistosoma mansoni hypothetical protein 0.0166 0.1851 0.2123
Brugia malayi mbt repeat family protein 0.0047 0.0305 0.1023
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0147 0.0085
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0184 0.0125
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0389 0.038
Trypanosoma brucei glucosidase, putative 0.0035 0.0158 0.2683
Brugia malayi jmjC domain containing protein 0.0034 0.0147 0.0494
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.298 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0311 0.0244
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0236 0.0275
Loa Loa (eye worm) hypothetical protein 0.0049 0.0334 0.112
Schistosoma mansoni hypothetical protein 0.004 0.0216 0.0175
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0147 0.0093
Schistosoma mansoni patched 1 0.0041 0.0236 0.0198
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0305 0.0237
Echinococcus granulosus jumonji domain containing protein 0.004 0.0214 0.0158
Loa Loa (eye worm) hypothetical protein 0.0041 0.0236 0.0791
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0158 0.1665
Loa Loa (eye worm) hypothetical protein 0.0047 0.0305 0.1023
Onchocerca volvulus Huntingtin homolog 0.012 0.1255 0.6779
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.095 0.3187
Schistosoma mansoni metabotropic glutamate receptor 0.0049 0.034 0.0322
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0389 0.0322
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0069 0.0232
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1769 0.1711
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1769 0.1711
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1486 0.1427
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0305 0.0281
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.8465 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0147 0.0078
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0069 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1967 0.6412
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.298 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0537 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0969 0.1072
Brugia malayi hypothetical protein 0.0025 0.0019 0.0064
Loa Loa (eye worm) hypothetical protein 0.0053 0.0389 0.1304
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0537 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.148 0.1681
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1769 0.1853
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0537 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0158 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0085 0.08 0.0797
Echinococcus granulosus thymidine phosphorylase 0.0734 0.9241 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0389 0.0348
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0389 0.0322
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0305 0.0257
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0305 0.1646
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0069 0.3606
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0069 0.3606
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0305 0.0237
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0389 0.1304
Echinococcus multilocularis expressed conserved protein 0.009 0.0874 0.081
Giardia lamblia PHD finger protein 15 0.0028 0.0069 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0158 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0236 0.0168
Echinococcus multilocularis thymidine phosphorylase 0.0734 0.9241 0.9235
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0305 0.1023
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0147 0.0494
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0115 0.1194 0.1339
Schistosoma mansoni hypothetical protein 0.0283 0.3382 0.3946
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0734 0.9241 1
Onchocerca volvulus 0.0092 0.0896 0.4839
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Echinococcus granulosus metabotropic glutamate receptor 5 0.0124 0.1317 0.1361
Brugia malayi Receptor family ligand binding region containing protein 0.0026 0.0036 0.012
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0912 0.0919
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0537 0.0471
Brugia malayi hypothetical protein 0.012 0.1255 0.4213
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0236 0.0181
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0085 0.08 0.0736
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0663 0.0707
Mycobacterium ulcerans thymidine phosphorylase 0.0734 0.9241 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0069 0.0232
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0158 0.2942
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0305 0.0281
Loa Loa (eye worm) hypothetical protein 0.012 0.1255 0.4213
Echinococcus granulosus microtubule associated protein 2 0.0674 0.8465 0.9154
Loa Loa (eye worm) MBCTL1 0.0053 0.0389 0.1304
Loa Loa (eye worm) hypothetical protein 0.0124 0.1317 0.4421
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0537 0.0511
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0236 0.0181
Echinococcus granulosus geminin 0.0166 0.1851 0.1943
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Brugia malayi CHE-14 protein 0.0041 0.0236 0.0791
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.095 1
Loa Loa (eye worm) hypothetical protein 0.012 0.1255 0.4213
Onchocerca volvulus Glucosylceramidase homolog 0.0166 0.1851 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0305 0.0281
Loa Loa (eye worm) glutamate receptor 0.004 0.0216 0.0725
Plasmodium falciparum phd finger protein, putative 0.0028 0.0069 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0158 0.1665
Loa Loa (eye worm) hypothetical protein 0.0026 0.0036 0.012
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0214 0.0146
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0537 0.1804
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0026 0.0036 0.012
Leishmania major hypothetical protein, conserved 0.0025 0.0019 0.0354
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.298 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1851 0.6002
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0305 0.0257
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.2087 0.2032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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