Detailed information for compound 1440832

Basic information

Technical information
  • TDR Targets ID: 1440832
  • Name: 6-hydroxy-4-[[(3-methoxyphenyl)amino]methyl]- 7-methylchromen-2-one
  • MW: 311.332 | Formula: C18H17NO4
  • H donors: 2 H acceptors: 2 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NCc1cc(=O)oc2c1cc(O)c(c2)C
  • InChi: 1S/C18H17NO4/c1-11-6-17-15(9-16(11)20)12(7-18(21)23-17)10-19-13-4-3-5-14(8-13)22-2/h3-9,19-20H,10H2,1-2H3
  • InChiKey: OYDHVCFLCLJGEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-hydroxy-4-[[(3-methoxyphenyl)amino]methyl]-7-methyl-chromen-2-one
  • 6-hydroxy-4-[[(3-methoxyphenyl)amino]methyl]-7-methyl-2-chromenone
  • 6-hydroxy-4-[[(3-methoxyphenyl)amino]methyl]-7-methyl-coumarin
  • STOCK1N-50001
  • ZINC02113679

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7357 0.7328
Echinococcus multilocularis GPCR, family 2 0.0019 0.2139 0.2238
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.548 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.4678 0.6015
Brugia malayi beta-NAC-like protein 0.0042 0.548 0.6376
Echinococcus granulosus transcription factor btf3 0.0042 0.548 0.7208
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.548 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0453
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.548 0.5
Leishmania major basic transcription factor 3a, putative 0.0042 0.548 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Echinococcus multilocularis transcription factor btf3 0.0042 0.548 0.7208
Trichomonas vaginalis helicase, putative 0.0008 0.0525 0.0958
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8073 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Schistosoma mansoni transcription factor btf3 0.0042 0.548 0.5431
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.548 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 0.4856
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7357 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8073 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2139 0.1704
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7357 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 0.4842
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2139 0.1681
Entamoeba histolytica hypothetical protein 0.0042 0.548 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7357 0.7328
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2139 0.2238
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.7357 0.9
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Loa Loa (eye worm) hypothetical protein 0.0019 0.2139 0.1681
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2139 0.1704
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2139 0.2238
Onchocerca volvulus 0.0035 0.4393 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8073 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.548 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.0958
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5326 0.616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7357 0.7328
Schistosoma mansoni hypothetical protein 0.0019 0.2139 0.2052
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Loa Loa (eye worm) hypothetical protein 0.0041 0.5326 0.615
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.548 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.548 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.8073 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.7357 0.8997
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7357 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2139 0.2238
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.0958
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2139 0.2238
Loa Loa (eye worm) ICD-1 protein 0.0042 0.548 0.6366
Schistosoma mansoni hypothetical protein 0.0041 0.5326 0.5275
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 0.6015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7357 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Echinococcus granulosus GPCR family 2 0.0019 0.2139 0.2238
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.0958
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0453

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.854 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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