TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 250.681 | Formula: C12H11ClN2O2
H donors: 2 H acceptors: 2 LogP: 1.97 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)CCc1n[nH]c(=O)c(c1)O
InChi: 1S/C12H11ClN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
InChiKey: JZILLMBFJMBFQR-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
Rattus norvegicus	D-amino-acid oxidase	Starlite/ChEMBL	References
Homo sapiens	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
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	putative 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	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
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

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	345 aa	381 aa	23.4 %
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	347 aa	378 aa	24.6 %
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	346 aa	382 aa	24.1 %
Onchocerca volvulus	Unconventional prefoldin RPB5 interactor 1 homolog	D-amino-acid oxidase	346 aa	350 aa	31.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0049	0.0576	0.0197
Brugia malayi	beta-lactamase family protein	0.0038	0.0386	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0168	0.0168
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0049	0.0576	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0299	0.4988	0.4988
Schistosoma mansoni	hypothetical protein	0.0172	0.2738	0.2738
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0534	0.1103
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0534	0.1071
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0386	0.0386
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.0576	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.1846	0.1846
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0049	0.0576	0.4199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0576	0.0576
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0049	0.0576	0.1155
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0049	0.0576	0.0197
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0049	0.0576	0.119
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0386	0.0386
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0386	0.0386
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0607	0.1217
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0049	0.0576	0.0576
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0088	0.1268	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0536	0.9143	1
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0049	0.0576	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0088	0.1268	1
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0386	0.0386
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0607	0.0607
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0584	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.3982	0.4106
Brugia malayi	cDNA sequence BC016226	0.0049	0.0576	0.1155
Schistosoma mansoni	NAD dehydrogenase	0.0049	0.0576	0.0576
Echinococcus multilocularis	geminin	0.0172	0.2738	0.549
Schistosoma mansoni	fad oxidoreductase	0.0049	0.0576	0.0576
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0049	0.0576	0.0197
Brugia malayi	hypothetical protein	0.0016	0.0009	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0326	0.0326
Entamoeba histolytica	acetyltransferase, GNAT family	0.0081	0.1139	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.1846	0.1846
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0088	0.1268	0.2621
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0049	0.0576	0.3707
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0049	0.0576	0.0197
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0049	0.0576	0.119
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0607	0.1217
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0049	0.0576	0.5
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.0576	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0081	0.1139	1
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0584	1	1
Loa Loa (eye worm)	acetyltransferase	0.0299	0.4988	0.4988
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0049	0.0576	0.0197
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0088	0.1268	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0534	0.0534
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0534	0.0534
Brugia malayi	hypothetical protein	0.0026	0.0168	0.0337
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0049	0.0576	1
Echinococcus granulosus	geminin	0.0172	0.2738	0.5658
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0326	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0049	0.0576	1
Brugia malayi	MH2 domain containing protein	0.0121	0.1846	0.3702
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0049	0.0576	0.3707
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0576	0.0576
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0049	0.0576	0.1155
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0049	0.0576	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0291	0.484	1
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0049	0.0576	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0049	0.0576	1
Brugia malayi	RE18450p	0.0049	0.0576	0.1155
Onchocerca volvulus	Putative fad oxidoreductase	0.0049	0.0576	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0386	0.1982
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0386	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Leishmania major	hypothetical protein, conserved	0.0038	0.0386	0.5348
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0534	0.1071
Brugia malayi	acetyltransferase, GNAT family protein	0.0299	0.4988	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.0386	0.1982
Toxoplasma gondii	hypothetical protein	0.0049	0.0576	0.3707
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0299	0.4988	1
Leishmania major	hypothetical protein, conserved	0.0049	0.0576	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0576	0.0576
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0386	0.0774
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0049	0.0576	1
Schistosoma mansoni	d-amino acid oxidase	0.0584	1	1
Schistosoma mansoni	hypothetical protein	0.0172	0.2738	0.2738
Schistosoma mansoni	hypothetical protein	0.0035	0.0326	0.0326
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.0576	1
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0049	0.0576	0.0576
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0534	0.0534
Brugia malayi	beta-lactamase	0.0038	0.0386	0.0774
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0049	0.0576	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0386	0.0386
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0049	0.0576	0.1155
Leishmania major	hypothetical protein, conserved	0.0049	0.0576	1
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0049	0.0576	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0386	0.0798
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0049	0.0576	0.0197
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0386	0.5348
Schistosoma mansoni	fad oxidoreductase	0.0049	0.0576	0.0576
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0088	0.1268	1
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0049	0.0576	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0607	0.0607
Brugia malayi	beta-lactamase family protein	0.0038	0.0386	0.0774
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0049	0.0576	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0386	0.5348
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0049	0.0576	0.0576
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0088	0.1268	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0386	0.5348
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0534	0.1071
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0534	0.1103
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0049	0.0576	0.0217
Plasmodium falciparum	histone acetyltransferase GCN5	0.0081	0.1139	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.9 nM	Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 2.4 nM	Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 2.7 nM	Inhibition of human recombinant DAAO after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 2.7 nM	Inhibition Assay	BINDINGDB.	No reference
IC50 (binding)	= 6.3 nM	Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 6.3 nM	Inhibition Assay	BINDINGDB.	No reference
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: CHEMBL2338790

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 1731885