Detailed information for compound 996832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 179.148 | Formula: C9H6FNO2
  • H donors: 2 H acceptors: 2 LogP: 1.29 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2c(F)cccc2cc1O
  • InChi: 1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)
  • InChiKey: ITVNWQQOJXXTTI-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

Species Target name Source Bibliographic reference
Homo sapiens D-amino-acid oxidase Starlite/ChEMBL References
Homo sapiens D-aspartate oxidase Starlite/ChEMBL References
Rattus norvegicus D-amino-acid oxidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma mansoni d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium ulcerans D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Schistosoma japonicum ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans putative d-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao Get druggable targets OG5_127583 All targets in OG5_127583
Candida albicans D-amino acid oxidase Get druggable targets OG5_127583 All targets in OG5_127583

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Unconventional prefoldin RPB5 interactor 1 homolog D-amino-acid oxidase   346 aa 350 aa 31.1 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase   346 aa 382 aa 24.1 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-amino-acid oxidase 347 aa 378 aa 24.6 %
Candida albicans similar to putative d-amino acid oxidase D-amino-acid oxidase   346 aa 388 aa 22.2 %
Mycobacterium ulcerans D-amino acid oxidase Aao D-aspartate oxidase 369 aa 373 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0049 0.0702 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0702 0.0699
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Brugia malayi RE18450p 0.0049 0.0702 1
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0129 0.0126
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0049 0.0702 0.5
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0049 0.0702 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0049 0.0702 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0049 0.0702 0.8694
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0049 0.0702 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0016 0.0129 0.0126
Toxoplasma gondii hypothetical protein 0.0049 0.0702 1
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0049 0.0702 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0807 0.0804
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0807 0.0804
Brugia malayi protein kinase C II. 0.0016 0.0129 0.1797
Echinococcus multilocularis RNA directed DNA polymerase 0.0039 0.0534 0.6609
Loa Loa (eye worm) hypothetical protein 0.0039 0.0534 0.0531
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Echinococcus granulosus protein kinase c iota type 0.0014 0.0107 0.1293
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0049 0.0702 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0049 0.0702 0.0699
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0049 0.0702 0.8694
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0049 0.0702 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0584 1 1
Echinococcus multilocularis protein kinase c iota type 0.0014 0.0107 0.1293
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0049 0.0702 1
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0049 0.0702 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0055 0.0807 1
Schistosoma mansoni d-amino acid oxidase 0.0584 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0702 0.0699
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0049 0.0702 0.5
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0049 0.0702 0.5
Brugia malayi cDNA sequence BC016226 0.0049 0.0702 1
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0049 0.0702 0.0699
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0049 0.0702 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0049 0.0702 1
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0049 0.0702 0.5
Schistosoma mansoni fad oxidoreductase 0.0049 0.0702 0.0699
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0049 0.0702 0.8694
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0049 0.0702 0.5
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0049 0.0702 1
Echinococcus granulosus RNA directed DNA polymerase 0.0039 0.0534 0.6609
Echinococcus granulosus protein kinase c epsilon type 0.0016 0.0129 0.1562
Brugia malayi Protein kinase c protein 2 0.0046 0.0663 0.9444
Schistosoma mansoni fad oxidoreductase 0.0049 0.0702 0.0699
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.004 0.0559 0.0556
Loa Loa (eye worm) hypothetical protein 0.0045 0.0638 0.0635
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0049 0.0702 0.8694
Leishmania major hypothetical protein, conserved 0.0049 0.0702 0.5
Schistosoma mansoni atypical protein kinase C 0.0014 0.0107 0.0104
Schistosoma mansoni NAD dehydrogenase 0.0049 0.0702 0.0699
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0049 0.0702 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0049 0.0702 0.5
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0049 0.0702 0.0699
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0049 0.0702 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0055 0.0807 1
Echinococcus granulosus protein kinase C gamma type 0.0049 0.0703 0.8707
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0049 0.0702 1
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0049 0.0702 0.5
Trichomonas vaginalis AGC family protein kinase 0.0008 0.0003 1
Onchocerca volvulus Putative fad oxidoreductase 0.0049 0.0702 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0049 0.0702 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0584 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0016 0.0129 0.1562
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0536 0.9154 1
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0049 0.0702 1
Echinococcus multilocularis serine threonine protein kinase 0.0049 0.0703 0.8707
Loa Loa (eye worm) hypothetical protein 0.0049 0.0702 0.0699
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0049 0.0702 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0039 0.0534 0.6609

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 nM Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 180 nM Inhibition of rat recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 4620 nM Inhibition of human recombinant DDO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227

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.

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