Detailed information for compound 846222

Basic information

Technical information
  • TDR Targets ID: 846222
  • Name: methyl 2-chloro-4-[(3-fluorophenyl)methyl]thi eno[2,3-d]pyrrole-5-carboxylate
  • MW: 323.77 | Formula: C15H11ClFNO2S
  • H donors: 0 H acceptors: 1 LogP: 4.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1Cc1cccc(c1)F)cc(s2)Cl
  • InChi: 1S/C15H11ClFNO2S/c1-20-15(19)12-6-13-11(7-14(16)21-13)18(12)8-9-3-2-4-10(17)5-9/h2-7H,8H2,1H3
  • InChiKey: BVCBAXJMNBAJMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-4-[(3-fluorophenyl)methyl]-5-thieno[2,3-d]pyrrolecarboxylic acid methyl ester
  • 2-chloro-4-(3-fluorobenzyl)thieno[2,3-d]pyrrole-5-carboxylic acid methyl ester

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
Brugia malayi Cyclin, N-terminal domain containing protein 0.015 0.5552 1
Giardia lamblia Kinase, CAMK CAMKL 0.0018 0 0.5
Giardia lamblia Kinase, CAMK CAMKL 0.0018 0 0.5
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0079 0.2597 0.9075
Giardia lamblia Kinase, CAMK CAMKL 0.0018 0 0.5
Echinococcus multilocularis cyclin dependent kinase 7 0.0086 0.2862 1
Echinococcus granulosus cyclin dependent kinase 7 0.0086 0.2862 1
Trypanosoma brucei protein kinase, putative 0.0018 0 0.5
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0018 0 0.5
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0018 0 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.015 0.5552 1
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0079 0.2597 0.9075
Brugia malayi cyclin-dependent kinase 7 homolog 0.0103 0.3569 0.6429
Echinococcus multilocularis cyclin 0.0079 0.2597 0.9075
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.2862 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0018 0 0.5
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0086 0.2862 0.5155
Echinococcus granulosus cyclin 0.0079 0.2597 0.9075
Schistosoma mansoni g1/s-specific cyclin C 0.0079 0.2597 0.9075
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.007 0.2198 1
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0018 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.2862 1
Brugia malayi Cyclin C 0.0079 0.2597 0.4678
Trichomonas vaginalis cyclin H, putative 0.007 0.2198 1
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0238 0.9293 0.5
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0255 1 1
Loa Loa (eye worm) cyclin C 0.0079 0.2597 0.4678
Leishmania major serine/threonine kinase-like protein, putative 0.0018 0 0.5

Activities

No activities found for this compound.

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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