Detailed information for compound 691634

Basic information

Technical information
  • TDR Targets ID: 691634
  • Name: 2-amino-4-(2-bromophenyl)-6-(2-hydroxyethyl)- 7-methyl-5-oxo-4H-pyrano[5,6-c]pyridine-3-car bonitrile
  • MW: 402.242 | Formula: C18H16BrN3O3
  • H donors: 2 H acceptors: 3 LogP: 1.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1c(C)cc2c(c1=O)C(C(=C(O2)N)C#N)c1ccccc1Br
  • InChi: 1S/C18H16BrN3O3/c1-10-8-14-16(18(24)22(10)6-7-23)15(12(9-20)17(21)25-14)11-4-2-3-5-13(11)19/h2-5,8,15,23H,6-7,21H2,1H3
  • InChiKey: JRAFAHBNSAMGGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-(2-bromophenyl)-6-(2-hydroxyethyl)-5-keto-7-methyl-4H-pyrano[5,6-c]pyridine-3-carbonitrile

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 hypothetical protein 0.0049 0.1125 0.0993
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4725 0.6943
Entamoeba histolytica hypothetical protein 0.0036 0.0532 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0525 0.1174
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1008 0.051
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.6393 0.6393
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0532 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0525 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0532 0.0008
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1125 0.1125
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.447 0.6522
Entamoeba histolytica hypothetical protein 0.0036 0.0532 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.6393 0.6193
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.447 0.5
Brugia malayi RNA binding protein 0.0125 0.4725 0.4725
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0525 0.0525
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0525 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.447 0.6522
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0525 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0525 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.447 0.5
Echinococcus multilocularis geminin 0.0165 0.6574 0.6384
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0525 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0525 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0525 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0525 0.0525
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.9671 0.9671
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4725 0.6943
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.447 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.6393 0.6393
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0525 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.447 0.4164
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0525 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0799
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0525 0.1174
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1008 0.1008
Schistosoma mansoni survival motor neuron protein 0.0049 0.1125 0.0993
Loa Loa (eye worm) TAR-binding protein 0.0125 0.4725 0.4725
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6393 0.6193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1008 0.051
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.4725 0.4725
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0532 0.0012
Schistosoma mansoni hypothetical protein 0.0036 0.0532 0.0012
Brugia malayi follicle stimulating hormone receptor 0.0231 0.9671 0.9671
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1008 0.1008
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.4402 0.4092
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4725 0.6943
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.447 1
Schistosoma mansoni lipoxygenase 0.0083 0.2732 0.3648
Brugia malayi hypothetical protein 0.0036 0.0532 0.0532
Entamoeba histolytica hypothetical protein 0.0036 0.0532 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.447 1
Onchocerca volvulus 0.0093 0.3213 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.5343 0.7965
Schistosoma mansoni hypothetical protein 0.0165 0.6574 1
Loa Loa (eye worm) hypothetical protein 0.0238 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0799
Echinococcus granulosus survival motor neuron protein 1 0.0238 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.6574 1
Trypanosoma brucei glucosidase, putative 0.0036 0.0525 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4725 0.6943
Brugia malayi TAR-binding protein 0.0125 0.4725 0.4725
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4725 0.6943
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1008 0.051
Echinococcus granulosus geminin 0.0165 0.6574 0.6384
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.4402 0.4092
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0525 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0238 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0532 1
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.4725 0.4725
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.447 0.4164
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.447 0.5
Echinococcus multilocularis tar DNA binding protein 0.0125 0.4725 0.4433
Loa Loa (eye worm) RNA binding protein 0.0125 0.4725 0.4725
Schistosoma mansoni alpha-glucosidase 0.0139 0.5343 0.7965
Schistosoma mansoni lipoxygenase 0.0118 0.4402 0.6409
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.6393 0.6193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1008 0.051
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0525 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0799
Echinococcus granulosus tar DNA binding protein 0.0125 0.4725 0.4433

Activities

No activities found for this compound.

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

No literature references available for this target.

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