TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 234.226 | Formula: C12H11FN2O2
H donors: 2 H acceptors: 2 LogP: 1.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1CCc1n[nH]c(=O)c(c1)O
InChi: 1S/C12H11FN2O2/c13-10-4-2-1-3-8(10)5-6-9-7-11(16)12(17)15-14-9/h1-4,7H,5-6H2,(H,14,16)(H,15,17)
InChiKey: MRTSKJFBZYCZPQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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	D-amino-acid oxidase	Starlite/ChEMBL	References
Rattus norvegicus	D-amino-acid oxidase	Starlite/ChEMBL	References
Mus musculus	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
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
Candida albicans	putative 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
Schistosoma mansoni	d-amino acid oxidase	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

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	347 aa	378 aa	24.6 %
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	346 aa	382 aa	24.1 %
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-amino acid oxidase	345 aa	381 aa	23.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0284	0.12
Echinococcus granulosus	muscleblind protein	0.0165	0.2371	0.91
Loa Loa (eye worm)	hypothetical protein	0.0049	0.025	0.025
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0049	0.025	1
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0049	0.025	0.025
Toxoplasma gondii	hypothetical protein	0.0049	0.025	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0284	0.0284
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0088	0.0337
Leishmania major	hypothetical protein, conserved	0.0049	0.025	1
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.025	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.025	1
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0049	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.0049	0.025	0.025
Schistosoma mansoni	hypothetical protein	0.0038	0.005	0.005
Schistosoma mansoni	hypothetical protein	0.0178	0.2606	0.2606
Brugia malayi	Muscleblind-like protein	0.0165	0.2371	1
Echinococcus multilocularis	muscleblind protein 1	0.0165	0.2371	0.91
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0367	0.1549
Schistosoma mansoni	d-amino acid oxidase	0.0584	1	1
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0049	0.025	0.096
Brugia malayi	RNA binding protein	0.007	0.0639	0.2695
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0049	0.025	0.0274
Brugia malayi	hypothetical protein	0.004	0.0088	0.0371
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.005	0.0209
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0049	0.025	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0284	0.1092
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0639	0.0639
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0536	0.9113	1
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0639	0.2695
Loa Loa (eye worm)	RNA binding protein	0.007	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0367	0.0367
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0049	0.025	0.5
Echinococcus granulosus	geminin	0.0178	0.2606	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0584	1	1
Schistosoma mansoni	fad oxidoreductase	0.0049	0.025	0.025
Brugia malayi	TAR-binding protein	0.007	0.0639	0.2695
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0639	0.0639
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0639	0.2452
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2371	0.2371
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0049	0.025	0.025
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0049	0.025	0.1055
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0049	0.025	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0367	0.0367
Onchocerca volvulus	Putative fad oxidoreductase	0.0049	0.025	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0049	0.025	0.096
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.025	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0639	0.0639
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0049	0.025	1
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0049	0.025	0.025
Echinococcus multilocularis	geminin	0.0178	0.2606	1
Brugia malayi	cDNA sequence BC016226	0.0049	0.025	0.1055
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.025	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0	0.5
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0049	0.025	0.025
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0049	0.025	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0049	0.025	0.025
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0049	0.025	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0639	0.0639
Trichomonas vaginalis	esterase, putative	0.0035	0	0.5
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0049	0.025	1
Echinococcus multilocularis	muscleblind protein	0.0165	0.2371	0.91
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0049	0.025	0.025
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0088	0.0337
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.343	0.3764
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0	0.5
Schistosoma mansoni	hypothetical protein	0.0178	0.2606	0.2606
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0284	0.0284
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0	0.5
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.025	1
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0049	0.025	1
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0049	0.025	1
Brugia malayi	RE18450p	0.0049	0.025	0.1055
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0088	0.0088
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0049	0.025	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0049	0.025	1
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0049	0.025	0.025
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0049	0.025	1
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0049	0.025	0.1055
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0049	0.025	0.096
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0284	0.1092
Schistosoma mansoni	hypothetical protein	0.004	0.0088	0.0088
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0367	0.1549
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0584	1	1
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2371	0.2371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0284	0.0284
Leishmania major	hypothetical protein, conserved	0.0049	0.025	1
Echinococcus granulosus	tar DNA binding protein	0.007	0.0639	0.2452
Schistosoma mansoni	fad oxidoreductase	0.0049	0.025	0.025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0284	0.1092
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0049	0.025	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.005	0.005
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0284	0.1092
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.025	1
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0049	0.025	0.5
Schistosoma mansoni	NAD dehydrogenase	0.0049	0.025	0.025
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0639	0.0639
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0049	0.025	0.025
Loa Loa (eye worm)	hypothetical protein	0.0049	0.025	0.025
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0639	0.0639
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0639	0.0639
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0049	0.025	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0284	0.0284
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0049	0.025	0.096

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 nM	Inhibition of human recombinant DAAO after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 2 nM	Inhibition Assay	BINDINGDB.	No reference
IC50 (binding)	= 3.6 nM	Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 4.4 nM	Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 4.4 nM	Inhibition Assay	BINDINGDB.	No reference
IC50 (binding)	= 4.9 nM	Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 13 nM	In Vitro DAAO Enzyme Assay	BINDINGDB.	No reference

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

ChEMBL: CHEMBL2338795

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.

Detailed information for compound 1731591