Detailed information for compound 903755

Basic information

Technical information
  • TDR Targets ID: 903755
  • Name: 2-amino-4-(3-methoxy-4-propoxyphenyl)-5-oxo-4 H-pyrano[5,6-c]chromene-3-carbonitrile
  • MW: 404.415 | Formula: C23H20N2O5
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc(cc1OC)C1C(=C(N)Oc2c1c(=O)oc1c2cccc1)C#N
  • InChi: 1S/C23H20N2O5/c1-3-10-28-17-9-8-13(11-18(17)27-2)19-15(12-24)22(25)30-21-14-6-4-5-7-16(14)29-23(26)20(19)21/h4-9,11,19H,3,10,25H2,1-2H3
  • InChiKey: SJXNBUDCKSYRTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-(3-methoxy-4-propoxy-phenyl)-5-oxo-4H-pyrano[5,6-c]chromene-3-carbonitrile
  • 2-amino-5-keto-4-(3-methoxy-4-propoxy-phenyl)-4H-pyrano[5,6-c]chromene-3-carbonitrile
  • Oprea1_599929
  • ChemDiv1_003826
  • AM-807/12739127
  • STK055992

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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.1105 1
Brugia malayi isocitrate dehydrogenase 0.0016 0 0.0002
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0625 0.0624
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1105 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0625 0.5657
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.1105 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0625 0.0624
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1891 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.1105 0.0931
Loa Loa (eye worm) hypothetical protein 0.0034 0.0334 0.1767
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0 0.0004
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0 0.0002
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.1105 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0622 0.3289
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.1105 0.1104
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0334 0.1767
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0334 0.3024
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1891 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0562 1 1
Brugia malayi MH2 domain containing protein 0.0119 0.1891 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0562 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.1105 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0 0.0002
Loa Loa (eye worm) hypothetical protein 0.0076 0.1105 0.5842
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.1105 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0622 0.3289
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1105 0.0931
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0192 0.0191
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0004
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0562 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0004
Brugia malayi Probable ClpP-like protease 0.0076 0.1105 0.5842
Toxoplasma gondii hypothetical protein 0.0026 0.0192 0.1734
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.1105 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0625 0.5657
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0622 0.3289
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0562 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0 0.0004
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0625 0.0441
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.1105 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0 0.0004
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.1105 0.1104
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0004
Treponema pallidum hypothetical protein 0.0562 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0 0.0004
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0192 0.0191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0622 0.3289

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.
 
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

No literature references available for this target.

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