Detailed information for compound 1234120

Basic information

Technical information
  • TDR Targets ID: 1234120
  • Name: N-[(4-dimethylaminophenyl)methyl]-N-(furan-2- ylmethyl)-2-methylbenzamide
  • MW: 348.438 | Formula: C22H24N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)CN(C(=O)c1ccccc1C)Cc1ccco1)C
  • InChi: 1S/C22H24N2O2/c1-17-7-4-5-9-21(17)22(25)24(16-20-8-6-14-26-20)15-18-10-12-19(13-11-18)23(2)3/h4-14H,15-16H2,1-3H3
  • InChiKey: HHDMCXRKHMYAQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-dimethylaminophenyl)methyl]-N-(2-furylmethyl)-2-methyl-benzamide
  • N-[(4-dimethylaminophenyl)methyl]-N-(2-furylmethyl)-2-methylbenzamide
  • N-(4-dimethylaminobenzyl)-N-(2-furylmethyl)-2-methyl-benzamide
  • N-[(4-dimethylaminophenyl)methyl]-N-(furan-2-ylmethyl)-2-methyl-benzamide
  • D062-0186
  • NCGC00115557-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 intermediate filament proteins 0.0054 0.0365 0.0559
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0088 0.04
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0273 0.0819
Echinococcus multilocularis musashi 0.0054 0.0365 0.0559
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0085 0.013
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.3288 0.5042
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0003 0.0005
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0088 0.0207
Mycobacterium ulcerans chorismate mutase 0.0454 0.3522 0.3522
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1073 0.4373
Brugia malayi CXXC zinc finger family protein 0.003 0.017 0.0802
Toxoplasma gondii hypothetical protein 0.0049 0.0322 0.5888
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0439 0.0673
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.2341 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0085 0.013
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0003 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0263 0.0404
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1073 0.4373
Onchocerca volvulus 0.0287 0.2201 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0088 0.5
Echinococcus granulosus lamin 0.0054 0.0365 0.0559
Schistosoma mansoni hypothetical protein 0.0424 0.3288 0.5042
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0088 0.0135
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0003 0.0005
Brugia malayi Pre-SET motif family protein 0.0037 0.0224 0.1088
Echinococcus granulosus cpg binding protein 0.0031 0.0183 0.0281
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0025 0.0134 0.061
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.0263 0.1288
Loa Loa (eye worm) hypothetical protein 0.0025 0.0134 0.061
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0088 0.0135
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0003 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0224 0.0344
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.1073 0.449
Loa Loa (eye worm) hypothetical protein 0.0054 0.0365 0.1818
Mycobacterium tuberculosis Chorismate mutase 0.1273 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0088 0.0135
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0391 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6523 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.017 0.0797
Echinococcus multilocularis lamin 0.0054 0.0365 0.0559
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0817 0.6396 0.9807
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0088 0.0207
Plasmodium vivax SET domain protein, putative 0.0037 0.0224 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0142 0.0218
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0085 0.0357
Brugia malayi intermediate filament protein 0.0054 0.0365 0.1822
Echinococcus granulosus GPCR family 2 0.0019 0.0085 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0273 0.101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0085 0.013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0003 0.0005
Echinococcus granulosus dna polymerase eta 0.0019 0.0088 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Schistosoma mansoni DNA polymerase eta 0.0019 0.0088 0.0135
Schistosoma mansoni lamin 0.0054 0.0365 0.0559
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0088 0.0207
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0365 0.1818
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0352
Schistosoma mansoni cpg binding protein 0.0031 0.0183 0.0281
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0365 0.1822
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0439 0.0673
Mycobacterium ulcerans hypothetical protein 0.016 0.1202 0.1202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0224 0.0344
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2201 1
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.013
Echinococcus granulosus lamin dm0 0.0054 0.0365 0.0559
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0224 0.0344
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.026 0.1272
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0088 0.0088
Brugia malayi TAR-binding protein 0.0064 0.0439 0.2212
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0444 0.0681
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.041 0.2061
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0439 0.0673
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0088 0.0088
Mycobacterium ulcerans hypothetical protein 0.1273 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0439 0.2212
Brugia malayi RNA binding protein 0.0064 0.0439 0.2212
Echinococcus multilocularis cpg binding protein 0.0031 0.0183 0.0281
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0088 0.0135
Onchocerca volvulus 0.0037 0.0224 0.0269
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.041 0.2057
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0165 0.0776
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0088 0.04
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0439 0.0673
Brugia malayi Pre-SET motif family protein 0.0252 0.1926 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0357 0.1777
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0273 0.0819
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0224 0.0344
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0224 0.0344
Loa Loa (eye worm) hypothetical protein 0.0037 0.0224 0.1083
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0088 0.0207
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0085 0.013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0439 0.2208
Trypanosoma brucei unspecified product 0.0019 0.0088 0.0207
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0088 0.0135
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1926 1
Echinococcus granulosus dnaJ subfamily B 0.0424 0.3288 0.5042
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6523 1
Schistosoma mansoni lamin 0.0054 0.0365 0.0559
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0085 0.0352
Echinococcus multilocularis GPCR, family 2 0.0019 0.0085 0.013
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0088 0.0374
Loa Loa (eye worm) hypothetical protein 0.006 0.041 0.2057
Schistosoma mansoni cpg binding protein 0.003 0.017 0.026
Echinococcus multilocularis lamin dm0 0.0054 0.0365 0.0559
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0088 0.0088
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0 0.5
Mycobacterium tuberculosis Chorismate mutase 0.0454 0.3522 0.3522
Onchocerca volvulus 0.0054 0.0365 0.0959
Treponema pallidum bacterioferrin (TpF1) 0.0008 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0439 0.0673
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Schistosoma mansoni hypothetical protein 0.0019 0.0085 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0088 0.0207
Schistosoma mansoni cpg binding protein 0.0031 0.0183 0.0281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0263 0.0404
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0142 0.0218
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0088 0.0369
Loa Loa (eye worm) RNA binding protein 0.0064 0.0439 0.2208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0263 0.0404
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.1202 0.1202
Schistosoma mansoni hypothetical protein 0.0041 0.026 0.0398
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0209 0.032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.0263 0.0404
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.041 0.2061
Onchocerca volvulus 0.0054 0.0365 0.0959
Giardia lamblia DINP protein human, muc B family 0.0019 0.0088 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0304 0.2341 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0273 0.0819
Loa Loa (eye worm) hypothetical protein 0.0041 0.026 0.1268
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0347 0.1148
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0165 0.0771
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.0263 0.1292
Leishmania major mitochondrial DNA polymerase beta 0.0304 0.2341 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0224 0.0344
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0263 0.0404
Echinococcus granulosus tar DNA binding protein 0.0064 0.0439 0.0673
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0088 0.0135
Loa Loa (eye worm) hypothetical protein 0.0026 0.0142 0.0651
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0088 0.0374
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0365 0.1818
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0439 0.2208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0224 0.0344
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0439 0.0673
Echinococcus granulosus intermediate filament protein 0.0054 0.0365 0.0559
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0018 0.0027
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0085 0.0357
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0304 0.2341 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6523 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.0263 0.0404
Loa Loa (eye worm) hypothetical protein 0.0019 0.0088 0.0369
Echinococcus multilocularis dna polymerase eta 0.0019 0.0088 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.0263 0.0404

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 12.5893 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
Potency (functional) 28.1838 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
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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