Detailed information for compound 1520353

Basic information

Technical information
  • TDR Targets ID: 1520353
  • Name: 4-[[(2-ethoxyphenyl)amino]methyl]-7-methylchr omen-2-one
  • MW: 309.359 | Formula: C19H19NO3
  • H donors: 1 H acceptors: 1 LogP: 3.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NCc1cc(=O)oc2c1ccc(c2)C
  • InChi: 1S/C19H19NO3/c1-3-22-17-7-5-4-6-16(17)20-12-14-11-19(21)23-18-10-13(2)8-9-15(14)18/h4-11,20H,3,12H2,1-2H3
  • InChiKey: MSPVEMHUICWCBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(2-ethoxyphenyl)amino]methyl]-7-methyl-chromen-2-one
  • 4-[[(2-ethoxyphenyl)amino]methyl]-7-methyl-2-chromenone
  • 4-[[(2-ethoxyphenyl)amino]methyl]-7-methyl-coumarin
  • ZINC08024468
  • T5534769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
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
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0085 0.1011 1
Echinococcus multilocularis ribokinase 0.0085 0.1011 0.1011
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0005 0.0005
Entamoeba histolytica kinase, PfkB family 0.0085 0.1011 0.8703
Echinococcus granulosus adenosine kinase 0.075 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0004 0.0004
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0219 0.2128
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0085 0.1011 0.1011
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0369 0.3621
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1427 0.1427
Trypanosoma brucei adenosine kinase, putative 0.075 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0187 0.0187
Brugia malayi CHD4 protein 0.0011 0.0005 0.0005
Onchocerca volvulus 0.0664 0.8844 1
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0005 0.0005
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0304 0.0304
Onchocerca volvulus 0.0085 0.1011 0.1143
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.1161 1
Schistosoma mansoni hypothetical protein 0.0165 0.2087 0.2087
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0005 0.0005
Schistosoma mansoni chromobox protein 0.0068 0.0773 0.0773
Schistosoma mansoni hypothetical protein 0.0011 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0015 0.0063 0.0063
Leishmania major adenosine kinase-like protein 0.0085 0.1011 0.0954
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0063 0.0063
Entamoeba histolytica hypothetical protein 0.0035 0.0329 0.2801
Schistosoma mansoni chromobox protein 0.0068 0.0773 0.0773
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0219 0.2128
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0408 0.0462
Brugia malayi hypothetical protein 0.0011 0.0005 0.0005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0511 0.0511
Onchocerca volvulus 0.0011 0.0005 0.0006
Echinococcus granulosus chromobox protein 2 0.0011 0.0005 0.0005
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.0063
Trypanosoma brucei adenosine kinase, putative 0.075 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0063 0.0063
Schistosoma mansoni chromobox protein 0.0011 0.0005 0.0005
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0329 0.0329
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0005 0.0005
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0063 0.0063
Entamoeba histolytica fructokinase, putative 0.0085 0.1011 0.8703
Toxoplasma gondii kinase, pfkB family protein 0.075 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0097 0.1161 0.1161
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0511 0.0511
Echinococcus granulosus Chromobox protein 3 0.0011 0.0005 0.0005
Brugia malayi hypothetical protein 0.0035 0.0329 0.0329
Schistosoma mansoni programmed cell death protein 0.0058 0.0643 0.0643
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0005 0.0005
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0085 0.1011 0.1011
Trypanosoma cruzi adenosine kinase, putative 0.075 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0187 0.0125
Loa Loa (eye worm) hypothetical protein 0.0038 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.075 1 1
Schistosoma mansoni ribokinase 0.0085 0.1011 0.1011
Onchocerca volvulus 0.0011 0.0005 0.0006
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0187 0.0125
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0063 0.0063
Mycobacterium tuberculosis Adenosine kinase 0.0085 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0258 0.0258
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0063 0.0063
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0005 0.0005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0063 0.0063
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0085 0.1011 0.8703
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0187 0.2851
Brugia malayi hypothetical protein 0.0025 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.0011 0.0004 0.0004
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0063 0.0908
Trypanosoma cruzi adenosine kinase, putative 0.0085 0.1011 0.0954
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.0063
Onchocerca volvulus 0.003 0.0258 0.0292
Leishmania major putative PfkB family sugar kinase 0.0085 0.1011 0.0954
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0063 0.0063
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0187 0.2851
Schistosoma mansoni programmed cell death protein 0.0058 0.0643 0.0643
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1427 0.1427
Schistosoma mansoni chromobox protein 0.0011 0.0005 0.0005
Brugia malayi hypothetical protein 0.0085 0.1011 0.1011
Onchocerca volvulus Putative pyridoxal kinase 0.0085 0.1011 0.1143
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0369 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0187 0.0187
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.1161 1
Brugia malayi HSF-type DNA-binding domain containing protein 0.0097 0.1161 0.1161
Schistosoma mansoni hypothetical protein 0.0035 0.0329 0.0329
Echinococcus multilocularis chromobox protein 1 0.0068 0.0773 0.0773
Echinococcus granulosus ribokinase 0.0085 0.1011 0.1011
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0643 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0063 0.0063
Echinococcus multilocularis geminin 0.0165 0.2087 0.2087
Echinococcus granulosus Chromo domain 0.0011 0.0005 0.0005
Schistosoma mansoni adenosine kinase 0.075 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0063 0.0063
Trypanosoma cruzi ribokinase, putative 0.0085 0.1011 0.0954
Toxoplasma gondii MA3 domain-containing protein 0.0058 0.0643 0.0643
Echinococcus multilocularis GPCR, family 2 0.0015 0.0063 0.0063
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0408 0.4009
Leishmania major ribokinase, putative 0.0085 0.1011 0.0954
Entamoeba histolytica heat shock transcription factor, putative 0.0097 0.1161 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0063 0.0063
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0005 0.0005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0329 0.0329
Trichomonas vaginalis ribokinase, putative 0.0085 0.1011 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.0063
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0049 0.0511 0.0511
Echinococcus multilocularis programmed cell death protein 4 0.0058 0.0643 0.0643
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Echinococcus granulosus programmed cell death protein 4 0.0058 0.0643 0.0643
Mycobacterium ulcerans fructokinase, PfkB 0.0085 0.1011 0.5
Mycobacterium tuberculosis Ribokinase RbsK 0.0085 0.1011 1
Echinococcus granulosus geminin 0.0165 0.2087 0.2087
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0011 0.0005 0.0005
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0097 0.1161 0.1313
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Brugia malayi isocitrate dehydrogenase 0.0015 0.0063 0.0063
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0005 0.0005
Echinococcus granulosus GPCR family 2 0.0015 0.0063 0.0063
Leishmania major adenosine kinase-like protein 0.0085 0.1011 0.0954
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0063 0.0063
Toxoplasma gondii kinase, pfkB family protein 0.0085 0.1011 0.1011
Leishmania major adenosine kinase, putative 0.075 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Trypanosoma cruzi adenosine kinase, putative 0.075 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.2087 0.2087
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Onchocerca volvulus 0.0011 0.0005 0.0006
Trypanosoma brucei ribokinase, putative 0.0085 0.1011 0.0954
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0329 0.0329
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0005 0.0005
Brugia malayi chromobox protein homolog 3 0.0038 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0085 0.1011 0.1011
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0063 0.0063
Leishmania major hypothetical protein, conserved 0.0025 0.0187 0.0125
Loa Loa (eye worm) hypothetical protein 0.0033 0.0304 0.0304
Brugia malayi Heterochromatin protein 1 0.0068 0.0773 0.0773
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0369 0.3621
Echinococcus multilocularis Chromo domain 0.0011 0.0005 0.0005
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0063 0.0908
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0187 0.2851
Mycobacterium leprae Probable adenosine kinase adk 0.0085 0.1011 0.5
Schistosoma mansoni adenosine kinase 0.075 1 1
Brugia malayi SET domain containing protein 0.0011 0.0005 0.0005
Trichomonas vaginalis ribokinase, putative 0.0085 0.1011 1
Loa Loa (eye worm) helicase 0.0011 0.0005 0.0005
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0005 0.0005
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0773 0.763
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0004 0.0004
Brugia malayi MH2 domain containing protein 0.0116 0.1427 0.1427
Echinococcus granulosus chromobox protein 1 0.0068 0.0773 0.0773
Leishmania major tagatose-6-phosphate kinase-like protein 0.0085 0.1011 0.0954
Echinococcus multilocularis chromobox protein 2 0.0011 0.0005 0.0005
Entamoeba histolytica hypothetical protein 0.0035 0.0329 0.2801
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0063 0.0063
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0408 0.4009
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0005 0.0005
Trypanosoma cruzi adenosine kinase, putative 0.0085 0.1011 0.0954
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.2804 0.3171
Trichomonas vaginalis ribokinase, putative 0.0085 0.1011 1
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0085 0.1011 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0063 0.0063
Brugia malayi N-terminal motif family protein 0.0218 0.2804 0.2804
Entamoeba histolytica hypothetical protein 0.0035 0.0329 0.2801
Echinococcus granulosus chromobox protein 1 0.0068 0.0773 0.0773
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0085 0.1011 0.8703
Echinococcus multilocularis chromobox protein 1 0.0068 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Brugia malayi Ribokinase 0.0085 0.1011 0.1011
Giardia lamblia Ribokinase 0.0085 0.1011 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0058 0.0643 1
Leishmania major tagatose-6-phosphate kinase-like protein 0.0085 0.1011 0.0954
Loa Loa (eye worm) hypothetical protein 0.0085 0.1011 0.1011
Entamoeba histolytica hypothetical protein 0.0035 0.0329 0.2801
Schistosoma mansoni hypothetical protein 0.0033 0.0304 0.0304
Brugia malayi hypothetical protein 0.0016 0.0069 0.0069
Onchocerca volvulus Ribokinase homolog 0.0085 0.1011 0.1143
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0511 0.0511
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0773 0.0773
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0218 0.2804 0.2804
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0063 0.0063
Brugia malayi Protein cec-1. 0.0011 0.0005 0.0005
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0.0005 0.0005
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0005 0.0005
Trypanosoma brucei ribokinase, putative 0.0085 0.1011 0.0954
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0773 0.763
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0187 0.0125
Schistosoma mansoni hypothetical protein 0.0015 0.0063 0.0063
Echinococcus multilocularis adenosine kinase 0.075 1 1
Entamoeba histolytica ribokinase, putative 0.0085 0.1011 0.8703

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 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
Homo sapiens ChEMBL23
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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