Detailed information for compound 953215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 162.145 | Formula: C8H6N2O2
  • H donors: 2 H acceptors: 3 LogP: 0.15 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2cccnc2cc1O
  • InChi: 1S/C8H6N2O2/c11-7-4-6-5(10-8(7)12)2-1-3-9-6/h1-4,11H,(H,10,12)
  • InChiKey: JVZDRGNZYCOVSZ-UHFFFAOYSA-N  

Network

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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
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
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
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
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
Loa Loa (eye worm) hypothetical protein 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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) glutamate receptor 1 0.0344 0.1347 0.0823
Brugia malayi hypothetical protein 0.0339 0.1323 0.0636
Plasmodium vivax telomerase reverse transcriptase, putative 0.0085 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Loa Loa (eye worm) hypothetical protein 0.2008 1 1
Echinococcus multilocularis glutamate receptor 2 0.0282 0.1024 0.0822
Brugia malayi Glutamate receptor 1 precursor 0.0344 0.1347 0.0662
Schistosoma mansoni glutamate receptor kainate 0.0344 0.1347 0.1152
Schistosoma mansoni glutamate receptor NMDA 0.0918 0.433 0.4203
Schistosoma mansoni glutamate receptor kainate 0.0344 0.1347 0.1152
Echinococcus multilocularis para nitrobenzyl esterase 0.0339 0.1323 0.1127
Echinococcus granulosus nmda type glutamate receptor 0.0636 0.2864 0.2704
Echinococcus granulosus carboxylesterase 5A 0.2008 1 1
Echinococcus multilocularis carboxylesterase 5A 0.2008 1 1
Echinococcus granulosus nmda type glutamate receptor 0.0574 0.2542 0.2374
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0568 0.2511 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0934 0.4416 0.429
Onchocerca volvulus 0.0339 0.1323 1
Plasmodium falciparum telomerase reverse transcriptase 0.0085 0 0.5
Schistosoma mansoni d-amino acid oxidase 0.0195 0.0571 0.0359
Schistosoma mansoni BC026374 protein (S09 family) 0.0339 0.1323 0.1127
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2008 1 1
Schistosoma mansoni glutamate receptor kainate 0.0344 0.1347 0.1152
Brugia malayi Carboxylesterase family protein 0.0339 0.1323 0.0636
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0409 0.1686 0.1499
Loa Loa (eye worm) carboxylesterase 0.0339 0.1323 0.0797
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0611 0.2735 1
Brugia malayi Carboxylesterase family protein 0.0339 0.1323 0.0636
Echinococcus multilocularis nmda type glutamate receptor 0.0636 0.2864 0.2704
Trichomonas vaginalis spcc417.12 protein, putative 0.0339 0.1323 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0574 0.2542 0.2374
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0195 0.0571 0.5
Onchocerca volvulus 0.0339 0.1323 1
Onchocerca volvulus 0.0339 0.1323 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0339 0.1323 0.1127
Echinococcus granulosus para nitrobenzyl esterase 0.0339 0.1323 0.1127
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Schistosoma mansoni neuroligin 3 (S09 family) 0.0339 0.1323 0.1127
Schistosoma mansoni glutamate receptor NMDA 0.0934 0.4416 0.429
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0339 0.1323 0.1127
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0611 0.2735 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0339 0.1323 0.3472
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Brugia malayi Carboxylesterase family protein 0.0339 0.1323 0.0636
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0409 0.1686 0.1499
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0085 0 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0339 0.1323 0.1127
Loa Loa (eye worm) carboxylesterase 0.0339 0.1323 0.0797
Trypanosoma brucei telomerase reverse transcriptase 0.0085 0 0.5
Brugia malayi Carboxylesterase family protein 0.2008 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2008 1 1
Echinococcus granulosus glutamate receptor 2 0.0409 0.1686 0.1499
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0409 0.1686 0.1499
Onchocerca volvulus 0.0339 0.1323 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0339 0.1323 0.1127
Leishmania major telomerase reverse transcriptase, putative 0.0085 0 0.5
Loa Loa (eye worm) glutamate receptor 2 0.0344 0.1347 0.0823
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0339 0.1323 0.1127
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0409 0.1686 0.1499
Echinococcus granulosus glutamate NMDA receptor subunit 0.0934 0.4416 0.429
Brugia malayi Glutamate receptor 2 precursor 0.0344 0.1347 0.0662
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0409 0.1686 0.1499
Toxoplasma gondii RNA-directed DNA polymerase 0.0085 0 0.5
Echinococcus granulosus neuroligin 0.0339 0.1323 0.1127
Echinococcus granulosus BC026374 protein S09 family 0.0339 0.1323 0.1127
Schistosoma mansoni gliotactin 0.0339 0.1323 0.1127
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0409 0.1686 0.1499
Echinococcus granulosus acetylcholinesterase 0.2008 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0339 0.1323 0.4128
Schistosoma mansoni glutamate receptor AMPA 0.0344 0.1347 0.1152
Loa Loa (eye worm) carboxylesterase 0.2008 1 1
Echinococcus multilocularis acetylcholinesterase 0.2008 1 1
Brugia malayi Carboxylesterase family protein 0.0339 0.1323 0.0636
Brugia malayi Serotonin receptor 0.046 0.1949 0.1311
Echinococcus multilocularis acetylcholinesterase 0.2008 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0409 0.1686 0.1499
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0339 0.1323 0.4128
Echinococcus granulosus glutamate receptor NMDA 0.0508 0.2202 0.2027
Giardia lamblia Telomerase catalytic subunit 0.0085 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Echinococcus multilocularis glutamate receptor 2 0.0344 0.1347 0.1152
Echinococcus granulosus hypothetical protein 0.0686 0.3126 0.2971
Schistosoma mansoni ATP-binding cassette transporter 0.0344 0.1347 0.1152
Echinococcus granulosus acetylcholinesterase 0.2008 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0339 0.1323 0.5
Onchocerca volvulus 0.0339 0.1323 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0409 0.1686 0.1499
Echinococcus multilocularis conserved hypothetical protein 0.0679 0.3089 0.2934
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0339 0.1323 0.1127
Echinococcus multilocularis glutamate receptor 2 0.0409 0.1686 0.1499
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Loa Loa (eye worm) hypothetical protein 0.0339 0.1323 0.0797
Schistosoma mansoni acetylcholinesterase 0.0339 0.1323 0.1127
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0085 0 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0508 0.2202 0.2027
Loa Loa (eye worm) hypothetical protein 0.2008 1 1
Echinococcus granulosus glutamate receptor 2 0.0282 0.1024 0.0822
Schistosoma mansoni glutamate receptor AMPA 0.0344 0.1347 0.1152
Echinococcus multilocularis neuroligin 0.0339 0.1323 0.1127
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0339 0.1323 0.4128

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of rat recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) = 128 nM Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227
IC50 (binding) > 50000 nM Inhibition of human recombinant DDO expressed in sf9 insect cells assessed as degradation of D-serine by fluorescence assay ChEMBL. 19438227

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

Bibliographic References

1 literature reference was collected for this gene.

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