Detailed information for compound 348250

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.281 | Formula: C15H13N3O4
  • H donors: 2 H acceptors: 4 LogP: 2.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]
  • InChi: 1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/b16-10+
  • InChiKey: YADCQTBJYQWOLZ-MHWRWJLKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3037 0.3037
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0502 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.659 0.659
Schistosoma mansoni inositol monophosphatase 0.0038 0.0502 0.0502
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3037 0.3037
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0061 0.2672 0.2672
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0502 0.0502
Echinococcus multilocularis carboxylesterase 5A 0.0138 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0061 0.2672 0.2672
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0061 0.2672 0.2672
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0122 0.5
Loa Loa (eye worm) LGC-31 protein 0.0061 0.2672 0.2672
Echinococcus granulosus tar DNA binding protein 0.0065 0.3037 0.3037
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3353 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0061 0.2672 0.2672
Echinococcus granulosus transcription factor Dp 1 0.004 0.0627 0.0627
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3037 0.3037
Onchocerca volvulus Putative nachr subunit 0.0061 0.2672 0.2885
Loa Loa (eye worm) hypothetical protein 0.0131 0.9262 0.9262
Onchocerca volvulus 0.0061 0.2672 0.2885
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0061 0.2672 0.2672
Loa Loa (eye worm) ACC-1 protein 0.0061 0.2672 0.2672
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0061 0.2672 0.2672
Echinococcus granulosus nAChR subunit 0.0061 0.2672 0.2672
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.2672 0.2672
Loa Loa (eye worm) ACC-1 protein 0.0061 0.2672 0.2672
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0061 0.2672 0.2672
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.2672 0.2672
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0061 0.2672 0.2672
Brugia malayi Cation transporter family protein 0.0061 0.2672 0.2672
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3037 0.3037
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0502 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3353 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Echinococcus granulosus carboxylesterase 5A 0.0138 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0138 1 1
Brugia malayi RNA binding protein 0.0065 0.3037 0.3037
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Echinococcus multilocularis acetylcholinesterase 0.0138 1 1
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.3353 0.3353
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0502 0.1497
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.3353 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0502 0.0502
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Echinococcus granulosus acetylcholinesterase 0.0138 1 1
Onchocerca volvulus 0.0061 0.2672 0.2885
Brugia malayi Cation transporter family protein 0.0131 0.9262 0.9262
Brugia malayi Inositol-1 0.0038 0.0502 0.0502
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0061 0.2672 0.2672
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.3353 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0131 0.9262 0.9262
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0502 0.5
Brugia malayi Cation transporter family protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0061 0.2672 0.2672
Onchocerca volvulus 0.0131 0.9262 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3037 0.3037
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0061 0.2672 0.2672
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.3353 0.3353
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.3353 0.3353
Loa Loa (eye worm) hypothetical protein 0.0138 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0061 0.2672 0.2672
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0131 0.9262 0.9262
Echinococcus granulosus acetylcholinesterase 0.0138 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.2672 0.2672
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis nAChR subunit 0.0061 0.2672 0.2672
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0061 0.2672 0.2672
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0502 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3037 0.3037
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0131 0.9262 0.9262
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0627 0.0627
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0061 0.2672 0.2672
Schistosoma mansoni inositol monophosphatase 0.0038 0.0502 0.0502
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.2672 0.2672
Brugia malayi Carboxylesterase family protein 0.0138 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.2672 0.2672
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0502 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0061 0.2672 0.2672
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0061 0.2672 0.2672
Loa Loa (eye worm) RNA binding protein 0.0065 0.3037 0.3037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.3353 0.3353
Loa Loa (eye worm) inositol-1 0.0038 0.0502 0.0502
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.3353 0.3353
Onchocerca volvulus 0.0061 0.2672 0.2885
Loa Loa (eye worm) hypothetical protein 0.0138 1 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3037 0.3037
Onchocerca volvulus 0.0131 0.9262 1
Brugia malayi TAR-binding protein 0.0065 0.3037 0.3037
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.2672 0.2672
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.2672 0.2672
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0061 0.2672 0.2672
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.2672 0.2672
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0061 0.2672 0.2672
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0122 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis acetylcholinesterase 0.0138 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3037 0.3037
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0502 0.5
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0061 0.2672 0.2672
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0061 0.2672 0.2672
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3037 0.3037
Onchocerca volvulus 0.0131 0.9262 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0061 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0061 0.2672 0.2672
Loa Loa (eye worm) carboxylesterase 0.0138 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.2672 0.2672
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0061 0.2672 0.2672
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3353 1
Schistosoma mansoni nAChR subunit 0.0061 0.2672 0.2672

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM ChEMBL. 16263280
Inhibition (functional) = 0 % Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM ChEMBL. 16263280

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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