Detailed information for compound 905897

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.515 | Formula: C27H28FNO3
  • H donors: 1 H acceptors: 2 LogP: 5.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1C(=C(C)N=C2C1=C(O)CC(C2)(C)C)C(=O)OCCc1ccccc1
  • InChi: 1S/C27H28FNO3/c1-17-23(26(31)32-14-13-18-7-5-4-6-8-18)24(19-9-11-20(28)12-10-19)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,30H,13-16H2,1-3H3
  • InChiKey: KRCVAWHZFZDPGP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0524 0.0761
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.0021
Echinococcus multilocularis protein C ets 2 0.0012 0.0009 0.0009
Brugia malayi Ets-domain containing protein 0.0079 0.0763 0.2246
Brugia malayi nuclear hormone receptor 0.0011 0.0007 0.0021
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0317 0.3395 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0317 0.3395 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0327 0.0964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0941 0.2773
Echinococcus granulosus tar DNA binding protein 0.0058 0.0524 0.0761
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0327 1
Echinococcus multilocularis geminin 0.0354 0.3809 0.3809
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Loa Loa (eye worm) D-ets-2 protein 0.0012 0.0009 0.0026
Brugia malayi ShTK domain containing protein 0.0317 0.3395 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0009 0.0009
Leishmania major hypothetical protein, conserved 0.0023 0.0137 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.0007
Loa Loa (eye worm) tyrosinase 1 0.0317 0.3395 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.0021
Schistosoma mansoni coup transcription factor 0.0011 0.0007 0.001
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0007 0.0021
Brugia malayi TAR-binding protein 0.0058 0.0524 0.1543
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0862 0.9449 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0524 0.0761
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0055 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.0021
Echinococcus multilocularis tar DNA binding protein 0.0058 0.0524 0.0524
Schistosoma mansoni tyrosinase precursor 0.0317 0.3395 0.4931
Echinococcus granulosus geminin 0.0354 0.3809 0.5533
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0007 0.001
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0317 0.3395 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0007 0.0021
Schistosoma mansoni hypothetical protein 0.0034 0.0256 0.0372
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0055 0.0161
Trichomonas vaginalis antibiotic synthetase, putative 0.0011 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0007 0.0021
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.0763 0.0763
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0327 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0007 0.0021
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0007 0.001
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.0079
Loa Loa (eye worm) ShTK domain-containing protein 0.0317 0.3395 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0007 0.0007
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0009 0.0026
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0137 0.4179
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.043 0.1266
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0007 0.001
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.0079
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0009 0.0009
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0034 0.0256 0.0754
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.0079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.0021
Brugia malayi nuclear receptor NHR-88 0.0011 0.0007 0.0021
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0055 0.0161
Loa Loa (eye worm) hypothetical protein 0.0023 0.0137 0.0403
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0007 0.0007
Loa Loa (eye worm) RNA binding protein 0.0058 0.0524 0.1543
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0007 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0007 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0524 0.0761
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0256 0.0754
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.001
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0009 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0941 0.0941
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0941 0.1367
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0055 0.0079
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0137 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0317 0.3395 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0011 0 0.5
Schistosoma mansoni gabp alpha 0.0079 0.0763 0.1107
Echinococcus multilocularis microtubule associated protein 2 0.0631 0.6885 0.6885
Schistosoma mansoni hypothetical protein 0.004 0.0327 0.0475
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.0763 0.2246
Echinococcus multilocularis GPCR, family 2 0.0016 0.0055 0.0055
Brugia malayi hypothetical protein 0.0036 0.0284 0.0836
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0137 0.4179
Brugia malayi Ets-domain containing protein 0.0079 0.0763 0.2246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.043 0.1266
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.0007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.001
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0009 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0007 0.0021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0007 0.0007
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1195 0.3521
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0354 0.3809 0.5533
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0058 0.0524 0.1543
Brugia malayi steroid hormone receptor 0.0011 0.0007 0.0021
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0137 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.043 0.1266
Brugia malayi hypothetical protein 0.0023 0.0137 0.0403
Brugia malayi RNA recognition motif domain containing protein 0.0058 0.0524 0.1543
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0009 0.0013
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0009 0.0013
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Echinococcus granulosus protein C ets 2 0.0012 0.0009 0.0013
Schistosoma mansoni ets-related 0.0241 0.2558 0.3714
Schistosoma mansoni hypothetical protein 0.0012 0.0009 0.0013
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Schistosoma mansoni microtubule-associated protein tau 0.0631 0.6885 1
Brugia malayi Common central domain of tyrosinase family protein 0.0317 0.3395 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0941 0.2773
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0009 0.0013
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0007 0.001
Brugia malayi ecdysteroid receptor 0.0011 0.0007 0.0021
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.0763 0.1107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0941 0.1367
Loa Loa (eye worm) hypothetical protein 0.0317 0.3395 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0007 0.001
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0137 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0055 0.0161
Brugia malayi hypothetical protein 0.0015 0.0046 0.0136
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0524 0.0761
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.004 0.0327 0.0327
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0007 0.0007
Echinococcus granulosus microtubule associated protein 2 0.0631 0.6885 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0009 0.0013
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0007 0.0021
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0327 0.0964
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0007 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0941 0.1367
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0007 0.001
Onchocerca volvulus 0.0317 0.3395 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0007 0.0021
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0007 0.001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0007 0.0007
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0317 0.3395 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0011 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0058 0.0524 0.1543
Brugia malayi RNA binding protein 0.0058 0.0524 0.1543
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.0021
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0137 0.4179
Schistosoma mansoni hypothetical protein 0.0354 0.3809 0.5533
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.004 0.0327 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0011 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0007 0.0021
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0317 0.3395 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0007 0.0021
Onchocerca volvulus 0.0317 0.3395 1
Onchocerca volvulus 0.0011 0.0007 0.0021
Brugia malayi Fli-1 protein 0.0241 0.2558 0.7533
Schistosoma mansoni tyrosinase precursor 0.0317 0.3395 0.4931
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0009 0.0026
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0007 0.0021
Brugia malayi hypothetical protein 0.0036 0.0284 0.0836
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0007 0.001
Entamoeba histolytica acyl-CoA synthetase, putative 0.0011 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0007 0.0021
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0007 0.001
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0011 0 0.5
Brugia malayi MH2 domain containing protein 0.0118 0.1195 0.3521
Echinococcus granulosus GPCR family 2 0.0016 0.0055 0.0079
Schistosoma mansoni ets-related 0.0012 0.0009 0.0013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0055 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0007 0.0021
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0007 0.001
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1195 0.3521
Schistosoma mansoni elf1 0.0012 0.0009 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.0021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0941 0.1367
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0011 0 0.5
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0026
Onchocerca volvulus 0.0317 0.3395 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0011 0 0.5
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0009 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0007 0.0021
Brugia malayi transcription factor E74 isoform 0.0012 0.0009 0.0026
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0862 0.9449 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0941 0.0941
Onchocerca volvulus 0.0317 0.3395 1
Schistosoma mansoni ets 0.0012 0.0009 0.0013
Echinococcus multilocularis ets variant gene 4 0.0012 0.0009 0.0009
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0009 0.0026
Loa Loa (eye worm) hypothetical protein 0.0068 0.0635 0.1869
Trichomonas vaginalis antibiotic synthetase, putative 0.0011 0 0.5
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0009 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0941 0.1367
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0007 0.001
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0327 0.0964
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0137 0.4179
Loa Loa (eye worm) fli-1 protein 0.0241 0.2558 0.7533
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0007 0.001
Schistosoma mansoni hypothetical protein 0.0016 0.0055 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0007 0.0021
Schistosoma mansoni hypothetical protein 0.0012 0.0009 0.0013
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0007 0.001
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0009 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0058 0.0524 0.0761
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.004 0.0327 0.0964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0007 0.0021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.043 0.1266
Brugia malayi Ets-domain containing protein 0.0012 0.0009 0.0026
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0009 0.0009
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0007 0.001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0007 0.0021
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0011 0 0.5

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.