Detailed information for compound 1481853

Basic information

Technical information
  • TDR Targets ID: 1481853
  • Name: N-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethy l)-3-methyl-1-benzofuran-2-carboxamide
  • MW: 379.836 | Formula: C22H18ClNO3
  • H donors: 0 H acceptors: 1 LogP: 5.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CN(C(=O)c1oc2c(c1C)cccc2)Cc1ccco1
  • InChi: 1S/C22H18ClNO3/c1-15-19-9-2-3-10-20(19)27-21(15)22(25)24(14-18-8-5-11-26-18)13-16-6-4-7-17(23)12-16/h2-12H,13-14H2,1H3
  • InChiKey: GATAIAOIBKLCBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-chlorophenyl)methyl]-N-(2-furylmethyl)-3-methyl-benzofuran-2-carboxamide
  • N-[(3-chlorophenyl)methyl]-N-(2-furylmethyl)-3-methyl-2-benzofurancarboxamide
  • N-(3-chlorobenzyl)-N-(2-furylmethyl)-3-methyl-benzofuran-2-carboxamide
  • D062-0761
  • NCGC00115379-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0047 0.0679
Leishmania major telomerase reverse transcriptase, putative 0.0349 0.2608 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0029 0.0242
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Loa Loa (eye worm) trypsin family protein 0.0028 0.005 0.0509
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Loa Loa (eye worm) hypothetical protein 0.0085 0.051 0.5216
Echinococcus granulosus transmembrane protease serine 3 0.0028 0.005 0.0813
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0028 0.005 0.0747
Echinococcus multilocularis transmembrane protease serine 3 0.0028 0.005 0.0813
Echinococcus granulosus glycoprotein Antigen 5 0.0028 0.005 0.0813
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Loa Loa (eye worm) hypothetical protein 0.0052 0.024 0.2456
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Brugia malayi MH2 domain containing protein 0.0144 0.0978 0.1294
Schistosoma mansoni hypothetical protein 0.0028 0.005 0.0747
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0176 0.4076
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0404 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Echinococcus granulosus Mastin 0.0028 0.005 0.0813
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0047 0.0739
Echinococcus multilocularis glycoprotein Antigen 5 0.0028 0.005 0.0813
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Brugia malayi Bromodomain containing protein 0.0091 0.0551 0.0699
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0028 0.005 0.0813
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0047 0.0739
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni hypothetical protein 0.0028 0.005 0.0747
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Brugia malayi Bromodomain containing protein 0.0046 0.0198 0.0207
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0978 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Echinococcus multilocularis enteropeptidase 0.0028 0.005 0.0813
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0349 0.2608 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0404 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.005 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0029 0.0292
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0028 0.005 0.0813
Loa Loa (eye worm) hypothetical protein 0.0049 0.0222 0.2268
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Toxoplasma gondii RNA-directed DNA polymerase 0.0349 0.2608 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0349 0.2608 0.5
Giardia lamblia Telomerase catalytic subunit 0.0349 0.2608 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0349 0.2608 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0199 0.2035
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0978 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.005 0.0747
Loa Loa (eye worm) hypothetical protein 0.0028 0.005 0.0509
Echinococcus multilocularis Mastin 0.0028 0.005 0.0813
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0747
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0028 0.005 0.0813
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0176 0.4076
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0028 0.005 0.0813
Schistosoma mansoni bromodomain containing protein 0.0076 0.0438 1
Brugia malayi PHD-finger family protein 0.003 0.007 0.0028
Trypanosoma brucei telomerase reverse transcriptase 0.0349 0.2608 0.5
Plasmodium falciparum telomerase reverse transcriptase 0.0349 0.2608 0.5
Echinococcus granulosus enteropeptidase 0.0028 0.005 0.0813
Brugia malayi Telomerase reverse transcriptase 0.0929 0.7222 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 56.2341 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

Species name Source Reference Is orphan
Homo sapiens 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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