Detailed information for compound 572892

Basic information

Technical information
  • TDR Targets ID: 572892
  • Name: 2,3,4,5,6-pentafluorobenzoic acid
  • MW: 212.074 | Formula: C7HF5O2
  • H donors: 1 H acceptors: 2 LogP: 1.95 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1c(F)c(C(=O)O)c(c(c1F)F)F
  • InChi: 1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
  • InChiKey: YZERDTREOUSUHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • pentafluorobenzoic acid
  • 602-94-8
  • EINECS 210-026-6
  • NSC 88337
  • Perfluorobenzoic acid
  • P5360_ALDRICH
  • CHEBI:46796
  • 76700_FLUKA
  • P107
  • ST5307987
  • NSC88337
  • NCIOpen2_005348
  • 4-09-00-00956 (Beilstein Handbook Reference)
  • BENZOIC ACID, PENTAFLUORO-
  • BRN 2054395

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
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0681 0.2423
Mycobacterium ulcerans hypothetical protein 0.004 0.0122 0.5
Brugia malayi Bromodomain containing protein 0.0165 0.2694 0.2998
Schistosoma mansoni bromodomain containing protein 0.0139 0.2165 0.7708
Brugia malayi Bromodomain containing protein 0.0084 0.1038 0.1068
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Loa Loa (eye worm) hypothetical protein 0.0103 0.1426 0.1535
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0063 0.0607 0.0952
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0103 0.1426 0.5078
Loa Loa (eye worm) hypothetical protein 0.0094 0.1234 0.1312
Echinococcus granulosus geminin 0.0171 0.2809 0.492
Echinococcus granulosus arachidonate 5 lipoxygenase 0.013 0.1974 0.3414
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Brugia malayi Muscleblind-like protein 0.0308 0.5628 0.6417
Echinococcus multilocularis geminin 0.0171 0.2809 0.492
Echinococcus multilocularis fetal alzheimer antigen, falz 0.005 0.0327 0.0447
Brugia malayi Pre-SET motif family protein 0.0458 0.8702 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0066 0.0657 0.2338
Onchocerca volvulus 0.0066 0.0657 0.0541
Mycobacterium ulcerans beta-lactamase 0.004 0.0122 0.5
Echinococcus multilocularis muscleblind protein 0.0308 0.5628 1
Mycobacterium ulcerans lipase LipD 0.004 0.0122 0.5
Brugia malayi Pre-SET motif family protein 0.0066 0.0657 0.0623
Loa Loa (eye worm) RNA binding protein 0.0067 0.0681 0.0668
Schistosoma mansoni lipoxygenase 0.013 0.1974 0.7025
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.2501 0.2786
Schistosoma mansoni hypothetical protein 0.0171 0.2809 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0122 0.0077
Brugia malayi PHD-finger family protein 0.0055 0.0434 0.0363
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0681 0.0668
Schistosoma mansoni hypothetical protein 0.0045 0.0241 0.0857
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0122 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0458 0.8702 1
Echinococcus multilocularis muscleblind protein 1 0.0308 0.5628 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.5628 0.6424
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0131 0.2004 0.3469
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0681 0.0668
Schistosoma mansoni hypothetical protein 0.0171 0.2809 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0681 0.2423
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0079 0.0931 0.1535
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0103 0.1426 0.2428
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0103 0.1426 0.5078
Mycobacterium leprae Probable lipase LipE 0.004 0.0122 0.5
Mycobacterium leprae conserved hypothetical protein 0.004 0.0122 0.5
Echinococcus multilocularis zinc finger protein 0.0043 0.0193 0.0205
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0066 0.0657 1
Echinococcus granulosus fetal alzheimer antigen falz 0.005 0.0327 0.0447
Schistosoma mansoni lipoxygenase 0.0091 0.1172 0.4172
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0681 0.2423
Loa Loa (eye worm) hypothetical protein 0.009 0.1148 0.1211
Loa Loa (eye worm) hypothetical protein 0.0308 0.5628 0.6424
Plasmodium vivax SET domain protein, putative 0.0066 0.0657 1
Loa Loa (eye worm) PHD-finger family protein 0.0045 0.0241 0.0156
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0122 0.0434
Schistosoma mansoni zinc finger protein 0.0043 0.0193 0.0687
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0122 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0122 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0681 0.2423
Schistosoma mansoni methyl-cpg binding protein mbd 0.0038 0.0079 0.0282
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0122 0.0018
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Brugia malayi RNA binding protein 0.0067 0.0681 0.0651
Echinococcus granulosus histone lysine methyltransferase setb 0.0103 0.1426 0.2428
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0122 0.0434
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0079 0.0931 0.1535
Schistosoma mansoni methyl-cpg binding protein mbd 0.0038 0.0079 0.0282
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.45 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0681 0.1084
Echinococcus granulosus muscleblind protein 0.0308 0.5628 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0122 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0066 0.0657 0.2338
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0681 0.0651
Echinococcus granulosus tar DNA binding protein 0.0067 0.0681 0.1084
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0122 0.5
Trichomonas vaginalis set domain proteins, putative 0.0521 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0681 0.2423
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.005 0.0327 0.1164
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0066 0.0657 0.1041
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0131 0.2004 0.3469
Loa Loa (eye worm) hypothetical protein 0.0084 0.1041 0.1087
Brugia malayi TAR-binding protein 0.0067 0.0681 0.0651
Loa Loa (eye worm) beta-lactamase 0.004 0.0122 0.0018
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.013 0.1974 0.3414
Leishmania major hypothetical protein, conserved 0.004 0.0122 1
Echinococcus granulosus zinc finger protein 0.0043 0.0193 0.0205

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = -7 % Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate at 1 mM after 1 hr relative to control ChEMBL. 24262887

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

1 literature reference was collected for this gene.

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