Detailed information for compound 67711

Basic information

Technical information
  • TDR Targets ID: 67711
  • Name: 2-(1-methoxyethylidene)cyclopent-4-ene-1,3-di one
  • MW: 152.147 | Formula: C8H8O3
  • H donors: 0 H acceptors: 2 LogP: 0.59 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C(=C/1\C(=O)C=CC1=O)/C
  • InChi: 1S/C8H8O3/c1-5(11-2)8-6(9)3-4-7(8)10/h3-4H,1-2H3
  • InChiKey: ZGIVRLIYOJJAPN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-methoxyethylidene)cyclopent-4-ene-1,3-quinone

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
Mycobacterium tuberculosis Carboxylesterase LipT 0.0117 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0691 0.643 0.643
Echinococcus granulosus stromal interaction molecule 1 0.0224 0.1195 0.1195
Trichomonas vaginalis spcc417.12 protein, putative 0.0117 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0691 0.643 0.643
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0691 0.643 0.643
Loa Loa (eye worm) hypothetical protein 0.0691 0.643 0.643
Brugia malayi Carboxylesterase family protein 0.0691 0.643 0.643
Schistosoma mansoni memapsin-2 (A01 family) 0.0419 0.3386 0.3386
Mycobacterium ulcerans carboxylesterase, LipT 0.0117 0 0.5
Onchocerca volvulus 0.0117 0 0.5
Onchocerca volvulus 0.0117 0 0.5
Echinococcus multilocularis stromal interaction molecule 1 0.0224 0.1195 0.1195
Loa Loa (eye worm) acetylcholinesterase 1 0.0691 0.643 0.643
Schistosoma mansoni Protein orai-1 0.101 1 1
Brugia malayi Carboxylesterase family protein 0.0691 0.643 0.643
Loa Loa (eye worm) hypothetical protein 0.101 1 1
Schistosoma mansoni Protein orai-1 0.101 1 1
Echinococcus granulosus acetylcholinesterase 0.0691 0.643 0.643
Loa Loa (eye worm) hypothetical protein 0.0224 0.1195 0.1195
Echinococcus multilocularis acetylcholinesterase 0.0691 0.643 0.643
Onchocerca volvulus 0.0117 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0691 0.643 0.643
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0117 0 0.5
Echinococcus granulosus calcium release activated calcium channel 0.101 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0117 0 0.5
Echinococcus multilocularis calcium release activated calcium channel 0.101 1 1
Brugia malayi hypothetical protein 0.0224 0.1195 0.1195
Echinococcus granulosus carboxylesterase 5A 0.0691 0.643 0.643
Echinococcus multilocularis acetylcholinesterase 0.0691 0.643 0.643
Schistosoma mansoni hypothetical protein 0.0121 0.0049 0.0049
Loa Loa (eye worm) carboxylesterase 0.0691 0.643 0.643
Onchocerca volvulus 0.0117 0 0.5
Onchocerca volvulus 0.0117 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0117 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1000 uM Compound was evaluated for its inhibitory activity against human chymase ChEMBL. 11425540
IC50 (binding) > 1000 uM Compound was evaluated for its inhibitory activity against human chymase ChEMBL. 11425540

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

1 literature reference was collected for this gene.

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