Detailed information for compound 1859737

Basic information

Technical information
  • TDR Targets ID: 1859737
  • Name: N-[(3,4,5-trimethoxyphenyl)methylideneamino]n aphthalene-1-carboxamide
  • MW: 364.395 | Formula: C21H20N2O4
  • H donors: 1 H acceptors: 1 LogP: 4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=N/NC(=O)c2cccc3c2cccc3)cc(c1OC)OC
  • InChi: 1S/C21H20N2O4/c1-25-18-11-14(12-19(26-2)20(18)27-3)13-22-23-21(24)17-10-6-8-15-7-4-5-9-16(15)17/h4-13H,1-3H3,(H,23,24)/b22-13+
  • InChiKey: GXLOWFUXFPZTJW-LPYMAVHISA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3,4,5-trimethoxyphenyl)methyleneamino]naphthalene-1-carboxamide
  • N-[(3,4,5-trimethoxyphenyl)methyleneamino]-1-naphthalenecarboxamide
  • N-[(3,4,5-trimethoxybenzylidene)amino]-1-naphthamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.2153 0.1926
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8447 0.8447
Echinococcus multilocularis cpg binding protein 0.0032 0.4688 0.5178
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.2153 0.162
Loa Loa (eye worm) hypothetical protein 0.0053 0.8077 0.9505
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0017 0.2153 0.1598
Echinococcus granulosus GPCR family 2 0.0017 0.2153 0.1926
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.2153 0.1926
Brugia malayi CXXC zinc finger family protein 0.0031 0.4403 0.4616
Schistosoma mansoni cpg binding protein 0.0032 0.4688 0.4688
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0017 0.2153 0.2153
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0542 1
Plasmodium falciparum zinc finger protein, putative 0.0004 0 0.5
Onchocerca volvulus 0.0031 0.4403 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0956 0.039
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0956 0.039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.8077 0.9506
Echinococcus multilocularis GPCR, family 2 0.0017 0.2153 0.1926
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.5335 0.5856
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.2153 0.1926
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.8869 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0542 1
Echinococcus granulosus cpg binding protein 0.0032 0.4688 0.5178
Schistosoma mansoni hypothetical protein 0.0017 0.2153 0.2153
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8447 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8447 0.8447
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.4403 0.4602
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Schistosoma mansoni cpg binding protein 0.0031 0.4403 0.4403
Schistosoma mansoni cpg binding protein 0.0032 0.4688 0.4688
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8447 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.2153 0.1598
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.8077 0.9505
Schistosoma mansoni hypothetical protein 0.0017 0.2153 0.2153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.8077 0.9506
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8447 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8447 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8447 0.8447
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8447 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.2153 0.162
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0542 1
Trichomonas vaginalis helicase, putative 0.0007 0.0542 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8447 1
Schistosoma mansoni hypothetical protein 0.0017 0.2153 0.2153
Loa Loa (eye worm) hypothetical protein 0.0036 0.5335 0.5845
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0542 1
Schistosoma mansoni hypothetical protein 0.0036 0.5335 0.5335
Entamoeba histolytica hypothetical protein 0.0004 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.2153 0.1926

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1651 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) 0.8913 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) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] 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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