Detailed information for compound 726019

Basic information

Technical information
  • TDR Targets ID: 726019
  • Name: N-(4-fluorophenyl)-2-[4-(furan-2-ylmethyl)pip erazin-1-yl]acetamide
  • MW: 317.358 | Formula: C17H20FN3O2
  • H donors: 1 H acceptors: 1 LogP: 1.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)CN1CCN(CC1)Cc1ccco1
  • InChi: 1S/C17H20FN3O2/c18-14-3-5-15(6-4-14)19-17(22)13-21-9-7-20(8-10-21)12-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)
  • InChiKey: QTNWSBXMFIQAGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-2-[4-(2-furylmethyl)piperazin-1-yl]acetamide
  • N-(4-fluorophenyl)-2-[4-(2-furylmethyl)-1-piperazinyl]acetamide
  • N-(4-fluorophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanamide
  • IVK/0015909

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
Plasmodium falciparum cysteine repeat modular protein 1 0.0029 0.0037 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.007 0.0654
Schistosoma mansoni alpha glucosidase 0.0035 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0029 0.0037 0.0037
Mycobacterium ulcerans lipase LipD 0.0036 0.007 0.0277
Trypanosoma brucei glucosidase, putative 0.0035 0.007 0.0274
Leishmania major hypothetical protein, conserved 0.0029 0.0037 0.0147
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0554 0.2543 0.2543
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0661 0.0661
Onchocerca volvulus 0.0036 0.007 0.0319
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0073 0.0073
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0073 0.0684
Plasmodium vivax SET domain protein, putative 0.0031 0.0047 0.0116
Onchocerca volvulus 0.0036 0.007 0.0319
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.1011 0.3975
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0389 0.0389
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.007 0.0654
Loa Loa (eye worm) TK/ROR protein kinase 0.0029 0.0037 0.0147
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0245 0.1068 0.4201
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0166 0.0654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0114 0.0114
Loa Loa (eye worm) IMP dehydrogenase 1 0.0554 0.2543 1
Brugia malayi GMP reductase 0.0245 0.1068 0.4201
Schistosoma mansoni alpha-glucosidase 0.0137 0.0555 0.0555
Mycobacterium ulcerans hypothetical protein 0.0036 0.007 0.0277
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0277
Brugia malayi mbt repeat family protein 0.0049 0.0134 0.0528
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0245 0.1068 0.4073
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0309 0.1376 0.541
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0134 0.0134
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0073 0.0286
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0047 0.0047
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0245 0.1068 0.4201
Brugia malayi hypothetical protein 0.0025 0.0018 0.0071
Brugia malayi Kringle domain containing protein 0.0029 0.0037 0.0147
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0277
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.1034 0.4064
Echinococcus multilocularis tissue type plasminogen activator 0.0029 0.0037 0.0037
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.0661 0.2599
Brugia malayi follicle stimulating hormone receptor 0.0237 0.1034 0.4064
Brugia malayi Inositol-1 0.0036 0.0073 0.0286
Trichomonas vaginalis esterase, putative 0.0036 0.007 0.0662
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.0983 0.3867
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0134 0.0938
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.007 0.0204
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.007 0.007
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0018 0.0071
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0166 0.0166
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0554 0.2543 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.007 0.0277
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.007 0.0654
Brugia malayi Protein kinase domain containing protein 0.0029 0.0037 0.0147
Plasmodium vivax hypothetical protein, conserved 0.0036 0.007 0.0207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0114 0.0114
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0662
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0073 0.0286
Brugia malayi Pre-SET motif family protein 0.0031 0.0047 0.0186
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0166 0.0166
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0047 0.0116
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0922 0.3626
Brugia malayi beta-lactamase 0.0036 0.007 0.0277
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.007 0.9571
Leishmania major hypothetical protein, conserved 0.0025 0.0018 0.0071
Trichomonas vaginalis set domain proteins, putative 0.0244 0.1063 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.007 0.0654
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0309 0.1376 0.5309
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.007 0.007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0114 0.0447
Onchocerca volvulus 0.0102 0.0389 0.3408
Mycobacterium ulcerans beta-lactamase 0.0036 0.007 0.0277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0114 0.0114
Schistosoma mansoni microtubule-associated protein tau 0.2116 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0018 0.0071
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0554 0.2543 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0073 0.0684
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0114 0.0114
Echinococcus multilocularis microtubule associated protein 2 0.2116 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0037 0.0147
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0134 0.0134
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0047 0.0047
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.007 0.0274
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0277
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0554 0.2543 0.2543
Schistosoma mansoni inositol monophosphatase 0.0036 0.0073 0.0073
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.007 0.9571
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Leishmania major guanosine monophosphate reductase 0.0554 0.2543 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.007 0.0277
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0047 0.0047
Onchocerca volvulus 0.0244 0.1063 0.9951
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0073 0.0286
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.007 0.0277
Brugia malayi Pre-SET motif family protein 0.0214 0.0922 0.3626
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0554 0.2543 0.2543
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.007
Trypanosoma cruzi GMP reductase 0.0554 0.2543 1
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0277
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0073 1
Echinococcus granulosus tumor protein p63 0.0698 0.3235 0.3235
Toxoplasma gondii ABC1 family protein 0.0036 0.007 0.0207
Leishmania major hypothetical protein, conserved 0.0036 0.007 0.0277
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0166 0.0166
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0554 0.2543 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0554 0.2543 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.007
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0661 0.0661
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.007 0.0277
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.007 0.007
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.1011 0.3975
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0277
Leishmania major inosine-5-monophosphate dehydrogenase 0.0554 0.2543 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0073 0.0286
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0554 0.2543 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0114 0.0114
Loa Loa (eye worm) inositol-1 0.0036 0.0073 0.0286
Loa Loa (eye worm) MBCTL1 0.0056 0.0166 0.0654
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0018 0.0071
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0166 0.0166
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.007 0.0277
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.007 0.0654
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.082 0.082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0114 0.0114
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0114 0.0114
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.007 0.0662
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0554 0.2543 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.007 0.0063
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0245 0.1068 0.4201
Loa Loa (eye worm) GMP reductase 0.0245 0.1068 0.4201
Loa Loa (eye worm) hypothetical protein 0.0031 0.0047 0.0186
Echinococcus granulosus tissue type plasminogen activator 0.0029 0.0037 0.0037
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0554 0.2543 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0114 0.0447
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0073 0.0286
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0554 0.2543 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0047 0.0047
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.007 0.0654
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.007 0.0274
Onchocerca volvulus 0.0036 0.007 0.0319
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.0661 0.2599
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.007 0.0654
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0047 0.0047
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0662
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0134 0.0528
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.007 0.0277
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.007 0.0277
Brugia malayi mbt repeat family protein 0.0049 0.0134 0.0528
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0554 0.2543 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0073 0.0684
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.007 0.007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0047 0.0047
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0055 0.0215
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.007 0.0277
Loa Loa (eye worm) hypothetical protein 0.0049 0.0134 0.0528
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.007 0.0654
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0029 0.0037 0.0077
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.0661 0.0661
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.082 0.082
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0134 0.0134
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0134 0.0134
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.007 0.0277
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0047 0.0047
Brugia malayi MH2 domain containing protein 0.0233 0.1011 0.3975
Toxoplasma gondii IMP dehydrogenas 0.0554 0.2543 1
Giardia lamblia DINP protein human, muc B family 0.0021 0 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0166 0.0166
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.007 0.0277
Mycobacterium leprae Probable lipase LipE 0.0036 0.007 0.0063
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0134 0.0134
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.007 0.0277
Loa Loa (eye worm) hypothetical protein 0.0029 0.0037 0.0147
Onchocerca volvulus 0.0049 0.0134 0.0938
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.007 0.0277
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0554 0.2543 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0018 0.0071
Schistosoma mansoni alpha-glucosidase 0.0137 0.0555 0.0555
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.007 0.0277
Toxoplasma gondii kringle domain-containing protein 0.0029 0.0037 0.0077
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0662
Schistosoma mansoni hypothetical protein 0.0297 0.1319 0.1319
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0554 0.2543 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.007 0.0274
Schistosoma mansoni inositol monophosphatase 0.0036 0.0073 0.0073
Onchocerca volvulus 0.0092 0.0341 0.294
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0073 0.0216
Onchocerca volvulus Putative GMP reductase 0.0245 0.1068 1
Trypanosoma brucei GMP reductase 0.0554 0.2543 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0056 0.0166 0.0654
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.007 0.0277
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0277
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0042 0.0042
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.007 0.0654
Onchocerca volvulus 0.0031 0.0047 0.0096
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0554 0.2543 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0389 0.1529
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.007 0.0274
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.007 0.0274
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.007 0.0662
Trypanosoma cruzi GMP reductase 0.0554 0.2543 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.007 0.0277
Echinococcus multilocularis tumor protein p63 0.0698 0.3235 0.3235

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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