Detailed information for compound 149910

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.255 | Formula: C14H11N3O4
  • H donors: 2 H acceptors: 6 LogP: 2.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1nc(O)c2c(n1)nc1c(c2)cc(cc1)O
  • InChi: 1S/C14H11N3O4/c1-2-21-14(20)12-16-11-9(13(19)17-12)6-7-5-8(18)3-4-10(7)15-11/h3-6,18H,2H2,1H3,(H,15,16,17,19)
  • InChiKey: DPUYKOOWTKFVIR-UHFFFAOYSA-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
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.016 0.1323 0.1323
Schistosoma mansoni diflavin oxidoreductase 0.045 0.469 0.469
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0103 0.0658 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0347 0.3492 0.3033
Plasmodium falciparum nitric oxide synthase, putative 0.0907 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.056 0.5968 0.5968
Brugia malayi diaphorase 0.0103 0.0658 0.0658
Onchocerca volvulus 0.0103 0.0658 0.5
Echinococcus multilocularis methionine synthase reductase 0.056 0.5968 0.5968
Entamoeba histolytica type A flavoprotein, putative 0.0347 0.3492 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0347 0.3492 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0907 1 1
Plasmodium vivax hypothetical protein, conserved 0.0347 0.3492 0.3033
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0347 0.3492 0.2604
Echinococcus granulosus potassium voltage gated channel subfamily H 0.016 0.1323 0.1323
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0347 0.3492 0.3033
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0907 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0804 0.8802 0.8717
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0347 0.3492 0.2604
Schistosoma mansoni cytochrome B5 0.0103 0.0658 0.0658
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0347 0.3492 0.3033
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0103 0.0658 0.0658
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.056 0.5968 0.5968
Mycobacterium tuberculosis Probable oxidoreductase 0.0103 0.0658 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0907 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.045 0.469 1
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0103 0.0658 0.5
Mycobacterium tuberculosis Probable monooxygenase 0.0103 0.0658 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0907 1 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0347 0.3492 0.2604
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0907 1 1
Treponema pallidum flavodoxin 0.0347 0.3492 1
Schistosoma mansoni cytochrome P450 reductase 0.0907 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0907 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0907 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0175 0.1494 0.1494
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0103 0.0658 0.0658
Echinococcus granulosus cytochrome b5 reductase 4 0.0103 0.0658 0.0658
Echinococcus granulosus cytochrome b5 reductase 4 0.0103 0.0658 0.0658
Echinococcus granulosus methionine synthase reductase 0.056 0.5968 0.5968
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0103 0.0658 0.0658
Giardia lamblia Hypothetical protein 0.0804 0.8802 1
Loa Loa (eye worm) diaphorase 0.0103 0.0658 0.0658
Toxoplasma gondii flavodoxin domain-containing protein 0.045 0.469 1
Mycobacterium tuberculosis Possible oxygenase 0.0103 0.0658 0.5
Echinococcus multilocularis cytochrome b5 reductase 4 0.0103 0.0658 0.0658
Entamoeba histolytica type A flavoprotein, putative 0.0347 0.3492 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0907 1 1
Brugia malayi FAD binding domain containing protein 0.0907 1 1
Leishmania major hypothetical protein, conserved 0.0347 0.3492 0.3033
Brugia malayi FAD binding domain containing protein 0.056 0.5968 0.5968
Leishmania major cytochrome P450 reductase, putative 0.0804 0.8802 0.8717
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0103 0.0658 0.0658
Leishmania major p450 reductase, putative 0.0907 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.016 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0139 0.1077 0.1077
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0804 0.8802 0.8638
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0907 1 1
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0103 0.0658 0.0658
Brugia malayi flavodoxin family protein 0.0347 0.3492 0.3492
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0347 0.3492 0.3033
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0907 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0907 1 1
Chlamydia trachomatis sulfite reductase 0.056 0.5968 1
Giardia lamblia Nitric oxide synthase, inducible 0.0804 0.8802 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0457 0.477 0.477
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0907 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0347 0.3492 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.016 0.1323 0.1323
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0907 1 1
Loa Loa (eye worm) hypothetical protein 0.0907 1 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0347 0.3492 0.3033
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0347 0.3492 0.3033
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0907 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0175 0.1494 0.1494
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0347 0.3492 0.2604
Entamoeba histolytica type A flavoprotein, putative 0.0347 0.3492 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0907 1 1
Trypanosoma cruzi p450 reductase, putative 0.0907 1 1
Loa Loa (eye worm) flavodoxin family protein 0.0347 0.3492 0.3492
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0907 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.7 mg kg-1 Antiallergic activity against reagin induced passive cutaneous anaphylaxis reaction in rats upon intravenous administration. ChEMBL. 6767846
ED50 (functional) = 10 mg kg-1 The compound was evaluated for antiallergic activity against reagin induced passive cutaneous anaphylaxis reaction in rats upon peroral administration,pH dependent ,more active when administered in solution of pH>/=10 ChEMBL. 6767846

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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