TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 261.661 | Formula: C13H8ClNO3
H donors: 2 H acceptors: 2 LogP: 3.35 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1oc2c(c1)[nH]c(c2)C(=O)O
InChi: 1S/C13H8ClNO3/c14-8-3-1-7(2-4-8)11-5-9-12(18-11)6-10(15-9)13(16)17/h1-6,15H,(H,16,17)
InChiKey: QDCKIJCFTKFENH-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
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
Mycobacterium leprae	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
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	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
Candida albicans	putative 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
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1581	0.1873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1355	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0934	0.0922
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0934	1
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0934	0.11
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0934	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0934	0.5907
Onchocerca volvulus		0.0036	0.0934	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1355	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0934	0.11
Brugia malayi	RE18450p	0.0016	0.0013	0.0081
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0016	0.0013	0.0081
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0934	0.0922
Schistosoma mansoni	d-amino acid oxidase	0.0195	0.8384	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0934	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0934	0.11
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0934	0.5
Onchocerca volvulus		0.0036	0.0934	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0934	0.0922
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0411	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1355	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0934	0.5
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0195	0.8384	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0934	0.11
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0411	0.4323
Schistosoma mansoni	hypothetical protein	0.0034	0.0844	0.0993
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0411	0.4323
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0934	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1355	0.1604
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1355	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0411	0.4323
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0411	0.0476
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1355	0.8574
Loa Loa (eye worm)	hypothetical protein	0.005	0.1581	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0195	0.8384	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0934	0.0922
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0411	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0934	0.11
Brugia malayi	beta-lactamase	0.0036	0.0934	0.5907
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1355	0.1604
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0016	0.0013	0.5
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0016	0.0013	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0934	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0934	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0934	0.0922
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1581	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0411	0.4323
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0934	0.11
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1355	0.1604
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0934	0.0922
Toxoplasma gondii	ABC1 family protein	0.0036	0.0934	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0934	0.11
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0934	0.0922
Brugia malayi	hypothetical protein	0.0025	0.0411	0.2599
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0934	0.0922
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1581	1
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0016	0.0013	0.5
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0179	0.7623	0.762
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0195	0.8384	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1355	0.1604
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0934	0.11
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0844	0.0993
Mycobacterium ulcerans	lipase LipD	0.0036	0.0934	0.11
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0934	0.686
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0844	0.5338
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0934	0.5907
Onchocerca volvulus		0.0036	0.0934	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0411	0.4323
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0016	0.0013	0.0081
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0934	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0934	0.11
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0934	0.11
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0934	0.0922
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0411	0.4323
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0934	0.11
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0934	0.686
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0934	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0934	0.5
Brugia malayi	cDNA sequence BC016226	0.0016	0.0013	0.0081
Brugia malayi	beta-lactamase family protein	0.0036	0.0934	0.5907
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0016	0.0013	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0934	0.0922

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: CHEMBL525894

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 1024983