Detailed information for compound 1489160

Basic information

Technical information
  • TDR Targets ID: 1489160
  • Name: 7-methyl-N-[2-[(3-methylphenyl)carbamoyl]-1-b enzofuran-3-yl]-4-oxochromene-2-carboxamide
  • MW: 452.458 | Formula: C27H20N2O5
  • H donors: 2 H acceptors: 3 LogP: 5.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1cc(=O)c3c(o1)cc(cc3)C)cccc2
  • InChi: 1S/C27H20N2O5/c1-15-6-5-7-17(12-15)28-27(32)25-24(19-8-3-4-9-21(19)34-25)29-26(31)23-14-20(30)18-11-10-16(2)13-22(18)33-23/h3-14H,1-2H3,(H,28,32)(H,29,31)
  • InChiKey: CUWBLODJBUCCDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-methyl-N-[2-[(3-methylphenyl)carbamoyl]benzofuran-3-yl]-4-oxo-chromene-2-carboxamide
  • 7-methyl-N-[2-[[(3-methylphenyl)amino]-oxomethyl]-3-benzofuranyl]-4-oxo-2-chromenecarboxamide
  • 4-keto-7-methyl-N-[2-[(3-methylphenyl)carbamoyl]benzofuran-3-yl]chromene-2-carboxamide
  • 7-methyl-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-4-oxo-chromene-2-carboxamide
  • NCGC00115732-01
  • D103-1216

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni ferritin 0.0018 0.0155 0.0155
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0421 0.0851
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0089
Mycobacterium tuberculosis Conserved protein 0.0035 0.0421 0.0851
Echinococcus granulosus tar DNA binding protein 0.0062 0.0817 0.0817
Schistosoma mansoni lamin 0.0026 0.0288 0.0288
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0288 0.0344
Trichomonas vaginalis set domain proteins, putative 0.0233 0.3402 0.8003
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.001 0.001
Schistosoma mansoni apoferritin-2 0.0018 0.0155 0.0155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.034 0.034
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.4212 1
Brugia malayi Pre-SET motif family protein 0.0205 0.2976 0.3561
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0817 0.0817
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.034 0.034
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0421 0.0658
Echinococcus granulosus lamin dm0 0.0026 0.0288 0.0288
Trypanosoma cruzi squalene monooxygenase, putative 0.0243 0.3549 1
Loa Loa (eye worm) hypothetical protein 0.0562 0.8359 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0421 0.0658
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.2001 0.5886
Onchocerca volvulus 0.0233 0.3402 1
Onchocerca volvulus 0.0064 0.0856 0.2516
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0288 0.0344
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0798 0.0798
Schistosoma mansoni hypothetical protein 0.0165 0.2372 0.2372
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0.0155 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0416 0.0416
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0035 0.0035
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0421 0.0851
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0436 0.0693
Echinococcus granulosus dnaJ subfamily B 0.0398 0.5882 0.5882
Brugia malayi hypothetical protein 0.0064 0.0856 0.1024
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.112 0.112
Brugia malayi beta-lactamase family protein 0.0035 0.0421 0.0504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Schistosoma mansoni ferritin light chain 0.0018 0.0155 0.0155
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.034 0.034
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0421 0.0851
Treponema pallidum fructose-bisphosphate aldolase 0.0287 0.4212 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0421 0.1445
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0026 0.0288 0.0344
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Brugia malayi small heat shock protein 0.0562 0.8359 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0436 0.0051
Echinococcus granulosus ferritin 0.0018 0.0155 0.0155
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.2001 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0421 0.1445
Toxoplasma gondii ABC1 family protein 0.0035 0.0421 0.2255
Schistosoma mansoni cpg binding protein 0.003 0.0334 0.0334
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0436 0.0436
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0436 0.0436
Mycobacterium tuberculosis Conserved protein 0.0035 0.0421 0.0851
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0288 0.0344
Brugia malayi beta-lactamase 0.0035 0.0421 0.0504
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0436 0.0436
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0035 0.0035
Schistosoma mansoni jun-related protein 0.0066 0.089 0.089
Echinococcus multilocularis expressed protein 0.0018 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Echinococcus granulosus geminin 0.0165 0.2372 0.2372
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0421 0.0658
Onchocerca volvulus 0.0035 0.0421 0.1239
Brugia malayi bZIP transcription factor family protein 0.0082 0.112 0.134
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0436 0.0046
Leishmania major squalene monooxygenase-like protein 0.0243 0.3549 1
Trypanosoma cruzi squalene monooxygenase, putative 0.0243 0.3549 1
Schistosoma mansoni hypothetical protein 0.0066 0.089 0.089
Onchocerca volvulus 0.0028 0.031 0.091
Brugia malayi TAR-binding protein 0.0062 0.0817 0.0977
Loa Loa (eye worm) hypothetical protein 0.0026 0.028 0.0335
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0817 0.0817
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0436 0.0436
Trypanosoma brucei squalene monooxygenase, putative 0.0243 0.3549 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0817 0.0817
Schistosoma mansoni ferritin 0.0018 0.0155 0.0155
Schistosoma mansoni lamin 0.0026 0.0288 0.0288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0436 0.0693
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0436 0.0436
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0436 0.0693
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0817 0.0817
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0421 0.0851
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0436 0.0521
Echinococcus granulosus lamin 0.0026 0.0288 0.0288
Brugia malayi Pre-SET motif family protein 0.003 0.034 0.0406
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0081 0.0081
Echinococcus granulosus cpg binding protein 0.003 0.0334 0.0334
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0421 1
Schistosoma mansoni hypothetical protein 0.0398 0.5882 0.5882
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0817 0.0977
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0436 0.0436
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0817 0.0817
Echinococcus multilocularis musashi 0.0026 0.0288 0.0288
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.2001 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0421 0.0658
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.034 0.034
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0421 0.0851
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0081 0.0081
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0817 0.0977
Brugia malayi CXXC zinc finger family protein 0.0028 0.031 0.037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0416 0.0416
Brugia malayi beta-lactamase family protein 0.0035 0.0421 0.0504
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.5882 0.5882
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0421 0.0421
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Brugia malayi intermediate filament protein 0.0026 0.0288 0.0344
Onchocerca volvulus 0.0026 0.0288 0.0846
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.034 0.034
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0436 0.0046
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.001 0.001
Echinococcus multilocularis jun protein 0.0082 0.112 0.112
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0436 0.0436
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0034 0.004
Echinococcus multilocularis cpg binding protein 0.003 0.0334 0.0334
Mycobacterium ulcerans hypothetical protein 0.0035 0.0421 0.1445
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0436 0.0046
Onchocerca volvulus 0.003 0.034 0.0998
Loa Loa (eye worm) hypothetical protein 0.003 0.034 0.0406
Echinococcus granulosus intermediate filament protein 0.0026 0.0288 0.0288
Echinococcus granulosus expressed protein 0.0018 0.0155 0.0155
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.112 0.112
Brugia malayi hypothetical protein 0.0035 0.0416 0.0498
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.001 0.001
Onchocerca volvulus 0.0035 0.0421 0.1239
Echinococcus multilocularis ferritin 0.0018 0.0155 0.0155
Schistosoma mansoni hypothetical protein 0.0165 0.2372 0.2372
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0817 0.0977
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0421 0.1445
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.034 0.034
Schistosoma mansoni ferritin 0.0018 0.0155 0.0155
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0436 0.0046
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.031 0.037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0817 0.0817
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0702 1
Schistosoma mansoni ferritin light chain 0.0018 0.0155 0.0155
Mycobacterium tuberculosis Conserved protein 0.0035 0.0421 0.0851
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0421 0.0504
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 0.4212 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0421 0.0421
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.3291 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0421 0.0851
Trichomonas vaginalis esterase, putative 0.0035 0.0421 0.0658
Echinococcus multilocularis geminin 0.0165 0.2372 0.2372
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0421 0.1445
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0103 0.0123
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0089
Onchocerca volvulus 0.0026 0.0288 0.0846
Brugia malayi RNA binding protein 0.0062 0.0817 0.0977
Loa Loa (eye worm) hypothetical protein 0.0036 0.0436 0.0521
Loa Loa (eye worm) hypothetical protein 0.0013 0.0081 0.0097
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0421 0.0421
Schistosoma mansoni cpg binding protein 0.0028 0.031 0.031
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.001 0.001
Loa Loa (eye worm) RNA binding protein 0.0062 0.0817 0.0977
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0421 0.0658
Schistosoma mansoni ferritin 0.0018 0.0155 0.0155
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0436 0.0436
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2976 0.3561
Echinococcus multilocularis lamin 0.0026 0.0288 0.0288
Echinococcus multilocularis lamin dm0 0.0026 0.0288 0.0288
Onchocerca volvulus 0.0035 0.0421 0.1239
Echinococcus granulosus jun protein 0.0082 0.112 0.112
Mycobacterium ulcerans beta-lactamase 0.0035 0.0421 0.1445
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0314 0.0314
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.034 0.034
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.4212 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0421 0.0504
Schistosoma mansoni intermediate filament proteins 0.0026 0.0288 0.0288
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0421 0.0851
Mycobacterium ulcerans lipase LipD 0.0035 0.0421 0.1445
Loa Loa (eye worm) histone methyltransferase 0.001 0.0035 0.0042
Schistosoma mansoni apoferritin-2 0.0018 0.0155 0.0155
Loa Loa (eye worm) beta-lactamase 0.0035 0.0421 0.0504
Loa Loa (eye worm) hypothetical protein 0.0079 0.1087 0.13
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.001 0.001
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.4212 1
Schistosoma mansoni cpg binding protein 0.003 0.0334 0.0334
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0103 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0416 0.0416
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0421 0.0504

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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