Detailed information for compound 266454

Basic information

Technical information
  • TDR Targets ID: 266454
  • Name: 6-fluoro-2-methyl-2,3-dihydroinden-1-one
  • MW: 164.176 | Formula: C10H9FO
  • H donors: 0 H acceptors: 1 LogP: 2.34 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)C(=O)C(C2)C
  • InChi: 1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
  • InChiKey: BABIQLUCYVRCIX-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-fluoro-2-methyl-indan-1-one
  • 6-fluoro-2-methyl-1-indanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0057 0.0508 0.5
Mycobacterium ulcerans hypothetical protein 0.0237 0.3041 1
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0136 0.0185
Loa Loa (eye worm) vesicle-fusing ATPase 0.0033 0.0179 0.0267
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0861 0.0823
Echinococcus multilocularis geminin 0.0299 0.3908 0.3883
Loa Loa (eye worm) hypothetical protein 0.0267 0.3459 0.6634
Echinococcus granulosus acetylcholinesterase 0.0082 0.0861 0.1922
Schistosoma mansoni sphingoid long chain base kinase 0.0237 0.3041 0.7758
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Schistosoma mansoni hypothetical protein 0.0267 0.3459 0.884
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Brugia malayi Animal haem peroxidase family protein 0.003 0.0136 0.0185
Echinococcus granulosus GPCR family 2 0.0124 0.1446 0.3473
Echinococcus multilocularis lysosome membrane protein 2 0.0101 0.1131 0.1095
Echinococcus granulosus geminin 0.0299 0.3908 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0101 0.1131 0.2638
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0136 0.0185
Echinococcus multilocularis GPCR, family 2 0.0124 0.1446 0.1411
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0124 0.1446 0.3473
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0054 0.0467 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0057 0.0508 0.3734
Loa Loa (eye worm) hypothetical protein 0.0038 0.0248 0.0402
Brugia malayi vesicle-fusing ATPase 0.0033 0.0179 0.0267
Echinococcus granulosus lysosome membrane protein 2 0.0101 0.1131 0.2638
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0124 0.1446 0.3473
Brugia malayi Latrophilin receptor protein 2 0.0124 0.1446 0.2727
Loa Loa (eye worm) transcription factor SMAD2 0.0108 0.1226 0.23
Trypanosoma cruzi Valosin-containing protein, putative 0.0054 0.0467 0.5
Echinococcus granulosus sphingosine kinase 1 0.0237 0.3041 0.7701
Loa Loa (eye worm) hypothetical protein 0.0033 0.0179 0.0267
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0861 0.0823
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0124 0.1446 0.2727
Echinococcus multilocularis CD36 class B scavenger receptor 0.0101 0.1131 0.1095
Loa Loa (eye worm) hypothetical protein 0.0101 0.1131 0.2116
Brugia malayi MH2 domain containing protein 0.0108 0.1226 0.23
Loa Loa (eye worm) latrophilin receptor protein 2 0.0124 0.1446 0.2727
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0861 0.2121
Echinococcus multilocularis CD36 class B scavenger receptor 0.0101 0.1131 0.1095
Brugia malayi Animal haem peroxidase family protein 0.003 0.0136 0.0185
Brugia malayi valosin containing protein 0.0033 0.0179 0.0267
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0124 0.1446 0.1411
Brugia malayi Carboxylesterase family protein 0.0082 0.0861 0.1591
Schistosoma mansoni sphingosine kinase A B 0.0237 0.3041 0.7758
Brugia malayi hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) MH2 domain-containing protein 0.0108 0.1226 0.23
Toxoplasma gondii cell division protein CDC48CY 0.0057 0.0508 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0057 0.0508 0.0985
Brugia malayi Peroxidasin 0.003 0.0136 0.0185
Schistosoma mansoni hypothetical protein 0.0299 0.3908 1
Brugia malayi CD36 family protein 0.0101 0.1131 0.2116
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0057 0.0508 0.1208
Loa Loa (eye worm) blistered cuticle protein 3 0.003 0.0136 0.0185
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0861 0.1922
Mycobacterium tuberculosis Conserved protein 0.0237 0.3041 1
Brugia malayi latrophilin 2 splice variant baaae 0.0267 0.3459 0.6634
Loa Loa (eye worm) pigment dispersing factor receptor c 0.039 0.5194 1
Loa Loa (eye worm) hypothetical protein 0.039 0.5194 1
Echinococcus granulosus acetylcholinesterase 0.0082 0.0861 0.1922
Brugia malayi Blistered cuticle protein 3 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.0082 0.0861 0.1591
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0057 0.0508 0.0469
Echinococcus multilocularis CD36 class B scavenger receptor 0.0101 0.1131 0.1095
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.0237 0.3041 0.5822
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0054 0.0467 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.039 0.5194 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0101 0.1131 0.282
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0101 0.1131 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0861 0.1591
Echinococcus granulosus CD36 class B scavenger receptor 0.0101 0.1131 0.2638
Brugia malayi hypothetical protein 0.0038 0.0248 0.0402
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0101 0.1131 0.282
Echinococcus multilocularis sphingosine kinase 1 0.0237 0.3041 0.3012
Loa Loa (eye worm) hypothetical protein 0.0082 0.0861 0.1591
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Schistosoma mansoni hypothetical protein 0.0124 0.1446 0.3634
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0054 0.0467 0.1102
Loa Loa (eye worm) carboxylesterase 0.0082 0.0861 0.1591
Brugia malayi Calcitonin receptor-like protein seb-1 0.039 0.5194 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0101 0.1131 0.282
Brugia malayi Animal haem peroxidase family protein 0.003 0.0136 0.0185
Echinococcus granulosus CD36 class B scavenger receptor 0.0101 0.1131 0.2638
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Brugia malayi Animal haem peroxidase family protein 0.003 0.0136 0.0185
Schistosoma mansoni hypothetical protein 0.0124 0.1446 0.3634
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Brugia malayi Animal haem peroxidase family protein 0.003 0.0136 0.0185
Schistosoma mansoni cd36 antigen 0.0038 0.0248 0.0535
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0054 0.0467 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0248 0.0402
Entamoeba histolytica hypothetical protein, conserved 0.0237 0.3041 1
Schistosoma mansoni hypothetical protein 0.0124 0.1446 0.3634
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Echinococcus multilocularis peroxidasin 0.003 0.0136 0.0096
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0124 0.1446 0.1411
Giardia lamblia AAA family ATPase 0.0034 0.0188 0.5
Schistosoma mansoni peroxidasin 0.003 0.0136 0.0247
Echinococcus granulosus CD36 class B scavenger receptor 0.0101 0.1131 0.2638
Brugia malayi hypothetical protein 0.0038 0.0248 0.0402
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0861 0.0823
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.0038 0.0248 0.0402
Schistosoma mansoni peroxidasin 0.003 0.0136 0.0247
Trypanosoma brucei Valosin-containing protein 0.0054 0.0467 0.5
Echinococcus multilocularis CD36 class B scavenger receptor 0.0101 0.1131 0.1095
Echinococcus granulosus CD36 class B scavenger receptor 0.0101 0.1131 0.2638
Brugia malayi Carboxylesterase family protein 0.0082 0.0861 0.1591
Loa Loa (eye worm) hypothetical protein 0.0101 0.1131 0.2116
Schistosoma mansoni hypothetical protein 0.0124 0.1446 0.3634
Loa Loa (eye worm) hypothetical protein 0.0124 0.1446 0.2727
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0136 0.0185
Loa Loa (eye worm) animal heme peroxidase 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.003 0.0136 0.0185
Echinococcus multilocularis CD36 class B scavenger receptor 0.0101 0.1131 0.1095
Loa Loa (eye worm) hypothetical protein 0.0101 0.1131 0.2116
Schistosoma mansoni hypothetical protein 0.0299 0.3908 1

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (binding) = 6.7 Inhibition of acetylcholinesterase. ChEMBL. 1738151
IC50 (binding) = 6.7 Inhibition of acetylcholinesterase. ChEMBL. 1738151
IC50 (binding) = 380 nM IC50 against acetylcholinesterase; value ranges from 1.3-380 nM. ChEMBL. 1738151
IC50 (binding) = 380 nM IC50 against acetylcholinesterase; value ranges from 1.3-380 nM. ChEMBL. 1738151

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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