TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 164.161 | Formula: C8H8N2O2
H donors: 2 H acceptors: 2 LogP: 0.62 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)[nH]c(=O)n2O
InChi: 1S/C8H8N2O2/c1-5-2-3-7-6(4-5)9-8(11)10(7)12/h2-4,12H,1H3,(H,9,11)
InChiKey: AEYJCQAMKNGBTG-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
Sus scrofa	D-amino-acid oxidase	Starlite/ChEMBL	References
Homo sapiens	D-amino-acid oxidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	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
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
Candida albicans	putative 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 tuberculosis	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 mansoni	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
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	347 aa	390 aa	23.3 %
Onchocerca volvulus	Unconventional prefoldin RPB5 interactor 1 homolog	D-amino-acid oxidase	347 aa	351 aa	30.8 %
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	347 aa	376 aa	25.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.039	1	1
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0032	0.0664	0.0267
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0294	0.0781
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0159	0.3982	1
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0664	0.7586
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0357	0.9151	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.03	0.0822
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0664	0.5
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0032	0.0664	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.017	0.0414
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Brugia malayi	acetyltransferase, GNAT family protein	0.015	0.3748	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0204	0.0204
Echinococcus multilocularis	Aminotransferase class III	0.0023	0.0408	0.1085
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0664	0.5
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0664	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0972	0.243
Onchocerca volvulus		0.006	0.1382	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.039	1	1
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0032	0.0664	0.5
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0032	0.0664	0.0664
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0032	0.0664	0.1038
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.015	0.3748	0.3748
Schistosoma mansoni	cpg binding protein	0.0063	0.1471	0.1471
Toxoplasma gondii	hypothetical protein	0.0032	0.0664	0.1038
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0032	0.0664	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1534	0.1534
Schistosoma mansoni	fad oxidoreductase	0.0032	0.0664	0.0664
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0159	0.3982	0.3727
Schistosoma mansoni	cpg binding protein	0.0063	0.1471	0.1471
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0972	0.267
Schistosoma mansoni	cpg binding protein	0.006	0.1382	0.1382
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0972	0.2282
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0408	0.1085
Loa Loa (eye worm)	histone methyltransferase	0.0019	0.03	0.0299
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1534	0.1534
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0159	0.3982	0.4089
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.1534	0.4092
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0408	0.1085
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1534	0.1534
Schistosoma mansoni	bromodomain containing protein	0.0007	0.0001	0.0001
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Brugia malayi	RE18450p	0.0032	0.0664	0.177
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Loa Loa (eye worm)	acetyltransferase	0.015	0.3748	0.3748
Trichomonas vaginalis	helicase, putative	0.0014	0.017	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0664	0.0663
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0032	0.0664	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Loa Loa (eye worm)	RNA binding protein	0.0066	0.1534	0.1533
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0032	0.0664	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0041	0.0875	1
Brugia malayi	RNA binding protein	0.0066	0.1534	0.4092
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0032	0.0664	0.5
Echinococcus granulosus	ornithine aminotransferase	0.0023	0.0408	0.1118
Mycobacterium ulcerans	hypothetical protein	0.0159	0.3982	0.3727
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0032	0.0664	0.177
Loa Loa (eye worm)	CXXC zinc finger family protein	0.006	0.1382	0.1381
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0032	0.0664	0.0267
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0875	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0032	0.0664	0.0267
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0032	0.0664	0.177
Schistosoma mansoni	d-amino acid oxidase	0.039	1	1
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0032	0.0664	0.0267
Leishmania major	hypothetical protein, conserved	0.0032	0.0664	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1534	0.1534
Brugia malayi	cDNA sequence BC016226	0.0032	0.0664	0.177
Schistosoma mansoni	bromodomain containing protein	0.0007	0.0001	0.0001
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.017	0.0414
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0875	1
Brugia malayi	CXXC zinc finger family protein	0.006	0.1382	0.3685
Schistosoma mansoni	fad oxidoreductase	0.0032	0.0664	0.0664
Echinococcus granulosus	tar DNA binding protein	0.0066	0.1534	0.4216
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.1534	0.4092
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0032	0.0664	0.7586
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0032	0.0664	0.1824
Leishmania major	hypothetical protein, conserved	0.0032	0.0664	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0664	0.0663
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.03	0.0798
Mycobacterium tuberculosis	Probable aminotransferase	0.0159	0.3982	0.4089
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0032	0.0664	0.177
Schistosoma mansoni	NAD dehydrogenase	0.0032	0.0664	0.0664
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0146	0.3638	1
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0032	0.0664	0.0663
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0159	0.3982	0.3727
Schistosoma mansoni	zinc finger protein	0.0007	0.0001	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0664	0.5
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0972	0.243
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0664	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.017	0.0414
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0972	1
Brugia malayi	TAR-binding protein	0.0066	0.1534	0.4092
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0032	0.0664	0.7586
Plasmodium falciparum	ornithine aminotransferase	0.0023	0.0408	0.4656
Echinococcus granulosus	cpg binding protein	0.0063	0.1471	0.4042
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0032	0.0664	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0204	0.056
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0023	0.0408	0.0408
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0032	0.0664	0.1824
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0032	0.0664	0.0293
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0204	0.0543
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0204	0.0543
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0023	0.0408	0.5
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.015	0.3748	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.1534	0.1534
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0023	0.0408	0.1085
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0032	0.0664	0.0664
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0664	0.5
Echinococcus granulosus	Aminotransferase class III	0.0023	0.0408	0.1118
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.1534	0.1533
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0664	0.4546
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.017	0.0414
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0117	0.288	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0204	0.056
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0032	0.0664	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0127	0.3138	0.3138
Echinococcus multilocularis	cpg binding protein	0.0063	0.1471	0.3923
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0664	0.0663
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0972	0.2282
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0664	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.1534	0.1533
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0032	0.0664	1
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0032	0.0664	0.177
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.004	0.004

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 uM	Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay	ChEMBL.	23243487
IC50 (binding)	= 4 uM	Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay	ChEMBL.	23243487

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: CHEMBL2152736

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 1721024