Detailed information for compound 1811403

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.371 | Formula: C21H19FO5
  • H donors: 0 H acceptors: 2 LogP: 3.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)O[C@@H]1CC[C@@]2(C(=C1C)C(=O)O[C@H]2c1cocc1)C
  • InChi: 1S/C21H19FO5/c1-12-16(26-19(23)13-3-5-15(22)6-4-13)7-9-21(2)17(12)20(24)27-18(21)14-8-10-25-11-14/h3-6,8,10-11,16,18H,7,9H2,1-2H3/t16-,18+,21-/m1/s1
  • InChiKey: OBCHKSRMQCIPMM-PLMTUMEDSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 beta-lactamase 0.0039 0.005 0.005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0008 0.0008
Brugia malayi CXXC zinc finger family protein 0.0031 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0888 0.1304 0.1304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0008 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.005 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0094 0.0094
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0012 0.208
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0012 0.208
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.005 0.0611
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0448 0.0654 0.0654
Mycobacterium ulcerans putative regulatory protein 0.0039 0.005 0.338
Entamoeba histolytica hypothetical protein 0.0026 0.0029 0.5
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.6771 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0008 0.0008
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0094 0.0094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.009 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.009 0.1807
Brugia malayi PAS domain containing protein 0.0053 0.007 0.007
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0015 0.0015
Echinococcus granulosus neuropeptide s receptor 0.0507 0.074 0.074
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0094 0.0094
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.005 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.005 0.338
Mycobacterium ulcerans lipase LipD 0.0039 0.005 0.338
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Echinococcus multilocularis lamin 0.003 0.0035 0.0035
Trichomonas vaginalis guanylate cyclase, putative 0.0014 0.0012 0.208
Mycobacterium ulcerans hypothetical protein 0.0039 0.005 0.338
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.005 0.0611
Echinococcus granulosus aryl hydrocarbon receptor 0.0014 0.0012 0.0012
Brugia malayi bHLH-PAS transcription factor 0.0039 0.005 0.005
Trichomonas vaginalis adenylate cyclase, putative 0.0014 0.0012 0.208
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0012 0.208
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0014 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Onchocerca volvulus 0.0091 0.0126 1
Brugia malayi nuclear hormone receptor 0.0011 0.0008 0.0008
Leishmania major hypothetical protein, conserved 0.0039 0.005 0.4859
Mycobacterium tuberculosis Conserved protein 0.0039 0.005 0.0611
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0012
Brugia malayi intermediate filament protein 0.003 0.0035 0.0035
Loa Loa (eye worm) intermediate filament protein 0.003 0.0035 0.0035
Loa Loa (eye worm) hypoxia-induced factor 1 0.0165 0.0235 0.0235
Brugia malayi beta-lactamase family protein 0.0039 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.6771 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.009 0.009
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0008 0.0008
Onchocerca volvulus 0.0031 0.0038 0.2548
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0008 0.0008
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.005 0.005
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Echinococcus granulosus single minded 2 0.0039 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.005 1
Echinococcus granulosus lamin dm0 0.003 0.0035 0.0035
Echinococcus multilocularis neuropeptide s receptor 0.0507 0.074 0.074
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.009 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0094 0.0094
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0008 0.0008
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0008 0.0008
Echinococcus granulosus dnaJ subfamily B 0.0448 0.0654 0.0654
Mycobacterium tuberculosis Conserved protein 0.0039 0.005 0.0611
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0014 0.0012 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0008 0.0008
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0008 0.0008
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0008 0.0008
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.009 1
Schistosoma mansoni cpg binding protein 0.0031 0.0038 0.0038
Brugia malayi steroid hormone receptor 0.0011 0.0008 0.0008
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0008 0.0008
Onchocerca volvulus 0.0039 0.005 0.3546
Schistosoma mansoni lamin 0.003 0.0035 0.0035
Schistosoma mansoni coup transcription factor 0.0011 0.0008 0.0008
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0094 0.0094
Onchocerca volvulus 0.0039 0.005 0.3546
Schistosoma mansoni microtubule-associated protein tau 0.0756 0.1109 0.1109
Onchocerca volvulus 0.0039 0.005 0.3546
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.009 0.009
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.005 0.0611
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0008 0.0008
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0008 0.0008
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0029 0.2234
Echinococcus multilocularis dnaJ subfamily B 0.0448 0.0654 0.0654
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.009 1
Schistosoma mansoni single-minded 0.0053 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0008 0.0008
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0008 0.0008
Echinococcus granulosus geminin 0.0186 0.0266 0.0266
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.005 0.005
Trichomonas vaginalis guanylate cyclase, putative 0.0014 0.0012 0.208
Echinococcus granulosus cpg binding protein 0.0033 0.0041 0.0041
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0008 0.0008
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0003 0.0003
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0008 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0012 0.208
Brugia malayi beta-lactamase family protein 0.0039 0.005 0.005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.005 0.005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0008 0.0008
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.005 0.0611
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0012 0.208
Toxoplasma gondii ABC1 family protein 0.0039 0.005 0.338
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0035 0.0035
Schistosoma mansoni cpg binding protein 0.0033 0.0041 0.0041
Echinococcus multilocularis lamin dm0 0.003 0.0035 0.0035
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0008 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0008 0.0008
Echinococcus multilocularis cpg binding protein 0.0033 0.0041 0.0041
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0012
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.0364 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0006 0.0006
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0012 0.208
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0008 0.0008
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.005 0.338
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0012 0.0012
Mycobacterium tuberculosis Conserved protein 0.0039 0.005 0.0611
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.005 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0003 0.0003
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0006 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0008 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0008 0.0008
Brugia malayi nuclear receptor NHR-88 0.0011 0.0008 0.0008
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0029 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0008 0.0008
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.005 0.338
Brugia malayi hypothetical protein 0.0179 0.0256 0.0256
Echinococcus multilocularis aryl hydrocarbon receptor 0.0014 0.0012 0.0012
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0029 0.4598
Echinococcus granulosus tar DNA binding protein 0.0069 0.0094 0.0094
Trichomonas vaginalis esterase, putative 0.0039 0.005 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.0126 0.0126
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0003 0.0003
Loa Loa (eye worm) beta-lactamase 0.0039 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0091 0.0126 0.0126
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.005 0.005
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0008 0.0008
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.0126 0.0126
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0029 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0008 0.0008
Onchocerca volvulus 0.0039 0.005 0.3546
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0008 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.009 0.009
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.005 0.005
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0079 0.831
Echinococcus multilocularis neuropeptide receptor A26 0.0507 0.074 0.074
Schistosoma mansoni hypothetical protein 0.0186 0.0266 0.0266
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.009 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.005 0.0611
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0012
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.005 0.0611
Echinococcus granulosus intermediate filament protein 0.003 0.0035 0.0035
Loa Loa (eye worm) RNA binding protein 0.0069 0.0094 0.0094
Mycobacterium leprae conserved hypothetical protein 0.0039 0.005 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0012
Echinococcus multilocularis geminin 0.0186 0.0266 0.0266
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0014 0.0012 0.208
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0008 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.005 1
Schistosoma mansoni intermediate filament proteins 0.003 0.0035 0.0035
Brugia malayi ecdysteroid receptor 0.0011 0.0008 0.0008
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.0008
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0008 0.0008
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0008 0.0008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0008 0.0008
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0015 0.0015
Echinococcus granulosus microtubule associated protein 2 0.0756 0.1109 0.1109
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0008 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.009 0.009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0008 0.0008
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0008 0.0008
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.6771 1 1
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.6771 1 1
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0014 0.0012 0.208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0008 0.0008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.003 0.0035 0.0035
Onchocerca volvulus 0.003 0.0035 0.2309
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0008 0.0008
Echinococcus granulosus neuropeptide receptor A26 0.0507 0.074 0.074
Schistosoma mansoni lamin 0.003 0.0035 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0039 0.005 0.005
Echinococcus granulosus lamin 0.003 0.0035 0.0035
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0008 0.0008
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0029 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0038 0.0038
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0012 0.0012
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.007 0.007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0006 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0008 0.0008
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0014 0.0012 0.0012
Schistosoma mansoni cpg binding protein 0.0033 0.0041 0.0041
Brugia malayi RNA binding protein 0.0069 0.0094 0.0094
Echinococcus multilocularis musashi 0.003 0.0035 0.0035
Brugia malayi hypoxia-induced factor 1 0.0165 0.0235 0.0235
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.005 0.005
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0008 0.0008
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0008 0.0008
Plasmodium vivax hypothetical protein, conserved 0.0039 0.005 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.005 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0179 0.0256 0.0256
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.005 1
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.005 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.0126 0.0126
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0008 0.0008
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0029 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0008 0.0008
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0008 0.0008
Onchocerca volvulus 0.003 0.0035 0.2309
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0186 0.0266 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.005 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0029 0.0034 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0094 0.0094
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.0126 0.0126
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.005 0.0611
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0008 0.0008
Onchocerca volvulus 0.0014 0.0012 0.0347
Brugia malayi TAR-binding protein 0.0069 0.0094 0.0094
Echinococcus multilocularis microtubule associated protein 2 0.0756 0.1109 0.1109

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.
 
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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