Detailed information for compound 1385403

Basic information

Technical information
  • TDR Targets ID: 1385403
  • Name: 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-meth yl-5-oxo-4-pyridin-3-yl-4H-pyrano[5,6-c]pyrid ine-3-carbonitrile
  • MW: 414.413 | Formula: C23H18N4O4
  • H donors: 1 H acceptors: 3 LogP: 2.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1cccnc1)c(=O)n(c(c2)C)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C23H18N4O4/c1-13-7-19-21(20(15-3-2-6-26-10-15)16(9-24)22(25)31-19)23(28)27(13)11-14-4-5-17-18(8-14)30-12-29-17/h2-8,10,20H,11-12,25H2,1H3
  • InChiKey: RBQKGGFKGONOMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-7-methyl-5-oxo-4-(3-pyridyl)-4H-pyrano[5,6-c]pyridine-3-carbonitrile
  • 2-amino-6-(1,3-benzodioxol-5-ylmethyl)-5-keto-7-methyl-4-(3-pyridyl)-4H-pyrano[5,6-c]pyridine-3-carbonitrile
  • MLS000084443
  • SMR000048207

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 1 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0062 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1045 0.1045
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1045 0.1045
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1045 0.1045
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1045 0.1045
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1045 0.1045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 1 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1045 0.1045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1045 0.1045
Brugia malayi ecdysteroid receptor 0.0012 0.1045 0.1045
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1045 0.1045
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1045 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1045 0.1045
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1045 0.1045
Brugia malayi nuclear receptor NHR-88 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1045 0.1045
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1045 0.1045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1045 0.1045
Echinococcus multilocularis mitogen activated protein kinase 0.0062 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1045 0.1045
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1045 0.1045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1045 0.1045
Brugia malayi steroid hormone receptor 0.0012 0.1045 0.1045
Brugia malayi nuclear hormone receptor 0.0012 0.1045 0.1045
Trichomonas vaginalis CMGC family protein kinase 0.0062 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1045 0.1045
Trypanosoma brucei protein kinase, putative 0.0062 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 1 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1045 0.1045
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1045 0.1045
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1045 0.1045
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1045 0.1045
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1045 0.1045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1045 0.1045
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1045 0.1045
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1045 0.1045
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Schistosoma mansoni coup transcription factor 0.0012 0.1045 0.1045
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1045 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1045 0.1045
Onchocerca volvulus 0.0012 0.1045 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1045 0.1045
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 1 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1045 0.1045
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1045 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1045 0.1045
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1045 0.1045
Schistosoma mansoni serine/threonine protein kinase 0.0062 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1045 0.1045
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1045 0.1045
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1045 0.1045
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1045 0.1045
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0012 0.1045 0.1045
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1045 0.1045

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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