Detailed information for compound 1484743

Basic information

Technical information
  • TDR Targets ID: 1484743
  • Name: methyl 4-[[2-(3-bromophenyl)-5-methyl-1,3-oxa zol-4-yl]methyl]thieno[2,3-d]pyrrole-5-carbox ylate
  • MW: 431.303 | Formula: C19H15BrN2O3S
  • H donors: 0 H acceptors: 2 LogP: 4.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1Cc1nc(oc1C)c1cccc(c1)Br)ccs2
  • InChi: 1S/C19H15BrN2O3S/c1-11-14(21-18(25-11)12-4-3-5-13(20)8-12)10-22-15-6-7-26-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3
  • InChiKey: ACJBYMHEFLDKFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]thieno[2,3-d]pyrrole-5-carboxylate
  • 4-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-5-thieno[2,3-d]pyrrolecarboxylic acid methyl ester
  • 4-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]thieno[2,3-d]pyrrole-5-carboxylic acid methyl ester
  • C777-1044
  • NCGC00113189-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8618 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0225 0.7553 1
Onchocerca volvulus 0.0225 0.7553 0.754
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0053 0.5
Echinococcus multilocularis inhibitor of apoptosis protein 0.0225 0.7553 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0225 0.7553 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0225 0.7553 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0225 0.7553 0.8756
Loa Loa (eye worm) hypothetical protein 0.0225 0.7553 0.8756
Schistosoma mansoni hypothetical protein 0.0225 0.7553 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0053 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.8618 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0225 0.7553 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0053 0.007
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0225 0.7553 1
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Onchocerca volvulus Deterin homolog 0.0225 0.7553 0.754
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0225 0.7553 0.8756
Loa Loa (eye worm) hypothetical protein 0.0225 0.7553 0.8756

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 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

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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