Detailed information for compound 231172

Basic information

Technical information
  • TDR Targets ID: 231172
  • Name: 10-fluoro-2,4,5,6-tetrahydro-1H-benzo[f]quino lin-3-one
  • MW: 217.239 | Formula: C13H12FNO
  • H donors: 1 H acceptors: 1 LogP: 1.52 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC2=C(N1)CCc1c2c(F)ccc1
  • InChi: 1S/C13H12FNO/c14-10-3-1-2-8-4-6-11-9(13(8)10)5-7-12(16)15-11/h1-3H,4-7H2,(H,15,16)
  • InChiKey: GCXSWYQCSKJOCM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica steroid 5-alpha reductase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Get druggable targets OG5_128852 All targets in OG5_128852
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania donovani 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania infantum 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Get druggable targets OG5_128852 All targets in OG5_128852
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Get druggable targets OG5_128852 All targets in OG5_128852
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Get druggable targets OG5_128852 All targets in OG5_128852

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative steroid-5-alpha-reductase, alpha polypeptide 1 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 1) 259 aa 254 aa 25.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0189 0.1475 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0084 0.0389 0.2638
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0084 0.0389 0.2638
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0084 0.0389 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0084 0.0389 0.2638
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0084 0.0389 0.2638
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.1475 1
Schistosoma mansoni NAD dehydrogenase 0.0084 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0189 0.1475 0.1475
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0084 0.0389 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0084 0.0389 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.1475 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0084 0.0389 1
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0084 0.0389 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0084 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0084 0.0389 0.0389
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0084 0.0389 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0084 0.0389 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.101 1 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0084 0.0389 0.2638
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0189 0.1475 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0084 0.0389 0.2638
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0189 0.1475 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0084 0.0389 0.2638
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0189 0.1475 1
Toxoplasma gondii hypothetical protein 0.0084 0.0389 0.2638
Mycobacterium ulcerans hypothetical protein 0.0189 0.1475 0.113
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0084 0.0389 0.2638
Leishmania major hypothetical protein, conserved 0.0084 0.0389 0.2638
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0084 0.0389 0.0389
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0084 0.0389 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0084 0.0389 0.2638
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.101 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.1475 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0084 0.0389 0.2638
Loa Loa (eye worm) hypothetical protein 0.0084 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0084 0.0389 0.0389
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0084 0.0389 1
Brugia malayi cDNA sequence BC016226 0.0084 0.0389 0.2638
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0084 0.0389 1
Onchocerca volvulus Putative fad oxidoreductase 0.0084 0.0389 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0925 0.9126 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0084 0.0389 0.2638
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0084 0.0389 0.2638
Leishmania major hypothetical protein, conserved 0.0084 0.0389 0.2638
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.1475 1
Schistosoma mansoni d-amino acid oxidase 0.101 1 1
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0189 0.1475 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0612 0.5875 0.5708
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0084 0.0389 0.2638
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0084 0.0389 0.2638
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0084 0.0389 0.2638
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0084 0.0389 0.0389
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0612 0.5875 0.5708
Schistosoma mansoni fad oxidoreductase 0.0084 0.0389 0.0389
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0084 0.0389 0.2638
Schistosoma mansoni fad oxidoreductase 0.0084 0.0389 0.0389
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0084 0.0389 0.2638
Brugia malayi RE18450p 0.0084 0.0389 0.2638
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0084 0.0389 0.2638
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0569 0.5427 0.5766
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0189 0.1475 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. ChEMBL. 8381185
IC50 (binding) = 10 uM In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells. ChEMBL. 8381185

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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