TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 228.204 | Formula: C12H8N2O3
H donors: 2 H acceptors: 3 LogP: 1.62 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc2c([nH]1)c(co2)c1cccnc1
InChi: 1S/C12H8N2O3/c15-12(16)9-4-10-11(14-9)8(6-17-10)7-2-1-3-13-5-7/h1-6,14H,(H,15,16)
InChiKey: BEQMEFJYIFFXFO-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

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
Schistosoma japonicum	ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative	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
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	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	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	chromobox protein, putative	0.0036	0.0318	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0281	0.1014
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0195	0.2661	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0032	0.0255	0.0859
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0032	0.0255	0.0859
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0029	0.0221	1
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0378	0.286
Schistosoma mansoni	hypothetical protein	0.0035	0.0302	0.1038
Leishmania major	4-coumarate:coa ligase-like protein	0.002	0.0088	0.0166
Schistosoma mansoni	chromobox protein	0.006	0.0666	0.2423
Echinococcus multilocularis	sterol regulatory element binding protein	0.0036	0.0321	0.0293
Schistosoma mansoni	patched 1	0.0036	0.0321	0.1111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0365	0.2196
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0218	0.0778
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0029	0.0221	0.054
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0015	0.0012	0.005
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0081	0.0979	1
Giardia lamblia	Kinase, PLK	0.0081	0.0979	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0979	0.2666
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0032	0.0255	0.2262
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0122	0.1589	0.4379
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0258	0.3592	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0175	0.0613
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0365	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0029	0.0062
Loa Loa (eye worm)	hypothetical protein	0.002	0.0088	0.0285
Trypanosoma brucei	polo-like protein kinase	0.0081	0.0979	0.2666
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0029	0.0221	0.1257
Brugia malayi	latrophilin 2 splice variant baaae	0.0029	0.0218	0.1896
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0016	0.0029	0.0118
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0281	0.1707
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0088	0.0285
Echinococcus multilocularis	chromobox protein 1	0.006	0.0666	0.064
Echinococcus granulosus	sterol regulatory element binding protein	0.0036	0.0321	0.191
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0032	0.0255	0.0227
Brugia malayi	AMP-binding enzyme family protein	0.002	0.0088	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0321	0.1166
Trichomonas vaginalis	chromobox protein, putative	0.006	0.0666	0.629
Brugia malayi	serine/threonine-protein kinase plk-2	0.0081	0.0979	0.9497
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0029	0.0221	0.054
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0979	0.2666
Leishmania major	4-coumarate:coa ligase-like protein	0.002	0.0088	0.0166
Mycobacterium ulcerans	hypothetical protein	0.002	0.0088	0.0285
Schistosoma mansoni	kinase	0.0041	0.0394	0.1387
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0088	0.0285
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0029	0.0221	0.054
Echinococcus granulosus	ubiquitin specific protease 41	0.0032	0.0255	0.1476
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0321	0.2185
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0036	0.0324	0.0829
Echinococcus multilocularis	protein patched	0.0036	0.0321	0.0293
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0081	0.0979	0.2666
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0032	0.0255	0.1476
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0365	0.2196
Echinococcus granulosus	chromobox protein 1	0.006	0.0666	0.4163
Loa Loa (eye worm)	heterochromatin protein 1	0.006	0.0666	0.247
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0032	0.0255	0.1476
Entamoeba histolytica	acyl-CoA synthetase, putative	0.002	0.0088	0.0591
Trichomonas vaginalis	chromobox protein, putative	0.006	0.0666	0.629
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0016	0.0029	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.002	0.0088	0.0285
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0036	0.0324	0.0829
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0032	0.0255	0.1396
Leishmania major	4-coumarate:coa ligase-like protein	0.002	0.0088	0.0166
Echinococcus granulosus	Niemann Pick C1 protein	0.0084	0.1029	0.6528
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Leishmania major	mitochondrial DNA polymerase beta	0.0258	0.3592	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0088	0.0285
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0032	0.0255	0.0635
Brugia malayi	Augmenter of liver regeneration	0.0029	0.0221	0.1925
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0365	0.1278
Brugia malayi	CHE-14 protein	0.0036	0.0321	0.2925
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0122	0.1589	0.4379
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0032	0.0255	0.0635
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0365	0.1278
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0029	0.0221	0.054
Echinococcus granulosus	Niemann Pick C1 protein	0.012	0.1561	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.002	0.0088	0.0225
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0043	0.0417	0.3882
Trichomonas vaginalis	chromobox protein, putative	0.0036	0.0318	0.2151
Echinococcus multilocularis	chromobox protein 1	0.006	0.0666	0.064
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0032	0.0255	0.0635
Brugia malayi	Niemann-Pick C1 protein precursor	0.0084	0.1029	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0122	0.1589	0.4379
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0016	0.0029	0.0062
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0088	0.0362
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0195	0.2661	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0081	0.0979	0.0953
Onchocerca volvulus		0.002	0.0088	0.0622
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0043	0.0417	0.1527
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0016	0.0029	0.0062
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.002	0.0088	0.0285
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0036	0.0324	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0417	0.1527
Schistosoma mansoni	hypothetical protein	0.0035	0.0302	0.1038
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0016	0.0029	0.0783
Brugia malayi	Heterochromatin protein 1	0.006	0.0666	0.6377
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0032	0.0255	0.2262
Schistosoma mansoni	hypothetical protein	0.0035	0.0302	0.1038
Schistosoma mansoni	serine/threonine protein kinase	0.0081	0.0979	0.3608
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.002	0.0088	0.0362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0039	0.0365	0.1332
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0016	0.0029	0.0062
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0378	0.286
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0081	0.0979	0.3648
Echinococcus granulosus	Protein patched homolog 1	0.0036	0.0321	0.191
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0029	0.0062
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0084	0.1029	1
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0016	0.0029	0.0783
Leishmania major	hypothetical protein, conserved	0.0029	0.0221	0.054
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0081	0.0979	0.9497
Schistosoma mansoni	hypothetical protein	0.0035	0.0302	0.1038
Toxoplasma gondii	Erv1 / Alr family protein	0.0029	0.0221	0.5149
Echinococcus multilocularis	ubiquitin specific protease 41	0.0032	0.0255	0.0227
Echinococcus multilocularis	Niemann Pick C1 protein	0.012	0.1561	0.1537
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0979	1
Schistosoma mansoni	chromobox protein	0.006	0.0666	0.2423
Brugia malayi	chromobox protein homolog 3	0.0033	0.0281	0.2523
Loa Loa (eye worm)	hypothetical protein	0.002	0.0088	0.0285
Echinococcus granulosus	chromobox protein 1	0.006	0.0666	0.4163
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0281	0.1707
Loa Loa (eye worm)	hypothetical protein	0.0195	0.2661	1
Mycobacterium ulcerans	hypothetical protein	0.0136	0.1792	0.6719
Loa Loa (eye worm)	hepatopoietin HPO2	0.0029	0.0221	0.0789
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0136	0.1792	0.74
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0081	0.0979	0.62
Entamoeba histolytica	acyl-coA synthetase, putative	0.002	0.0088	0.0591
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0258	0.3592	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0016	0.0029	0.0062
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0029	0.0221	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0029	0.0221	0.5149
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0088	0.0285
Toxoplasma gondii	hypothetical protein	0.0042	0.0402	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0033	0.0281	0.2656
Schistosoma mansoni	hypothetical protein	0.0029	0.0218	0.0721
Onchocerca volvulus		0.0026	0.0175	0.1538
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0088	0.0285
Entamoeba histolytica	acyl-CoA synthetase, putative	0.002	0.0088	0.0591
Echinococcus multilocularis	protein dispatched 1	0.0041	0.0396	0.0369
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0258	0.3592	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1029	0.3838
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0039	0.0365	0.3365
Brugia malayi	AMP-binding enzyme family protein	0.002	0.0088	0.0591
Schistosoma mansoni	d-amino acid oxidase	0.0195	0.2661	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0036	0.0324	0.0829
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0085	0.1048	0.3872
Echinococcus multilocularis	Niemann Pick C1 protein	0.0084	0.1029	0.1003
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0032	0.0255	0.0227
Echinococcus multilocularis	expressed conserved protein	0.0079	0.0954	0.0928
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0032	0.0255	0.1396
Echinococcus granulosus	expressed conserved protein	0.0079	0.0954	0.6037
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0365	0.1278
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0029	0.0221	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0029	0.0062
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0365	0.0338
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.002	0.0088	0.0225
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0016	0.0029	0.0062
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0179	0.2422	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.002	0.0088	0.0285
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0036	0.0321	0.1166
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0255	0.1396
Brugia malayi	AMP-binding enzyme family protein	0.002	0.0088	0.0591
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0036	0.0318	0.3049
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0032	0.0255	0.0635
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0043	0.0417	0.3882
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0441	0.1618
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0032	0.0255	0.2381
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0441	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0255	0.0916

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 5000 nM	Inhibition of human DAO	ChEMBL.	18455394

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: CHEMBL493624

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 995613