Detailed information for compound 917634

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 250.357 | Formula: C14H18O2S
  • H donors: 0 H acceptors: 1 LogP: 3.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C=C\Sc1ccccc1C(C)C
  • InChi: 1S/C14H18O2S/c1-4-16-14(15)9-10-17-13-8-6-5-7-12(13)11(2)3/h5-11H,4H2,1-3H3/b10-9-
  • InChiKey: PAPCOPVBSVLLCF-KTKRTIGZSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.3181 0.3181
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0104 0.5797 0.5788
Trichomonas vaginalis immunophilin, putative 0.0104 0.5797 0.5788
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0026 0.0022 0.0022
Echinococcus multilocularis Chromobox protein 3 0.0026 0.0022 0.0022
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0104 0.5797 0.5
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0026 0.0022 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0104 0.5797 0.5788
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0029 0.0186 0.0186
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0104 0.5797 0.5797
Trichomonas vaginalis chromobox protein, putative 0.0161 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0029 0.0186 0.0186
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0104 0.5797 0.5797
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.3181 0.3181
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0104 0.5797 0.5
Echinococcus multilocularis chromobox protein 1 0.0161 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0104 0.5797 0.5788
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0104 0.5797 0.5788
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0104 0.5797 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1558 0.1539
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.009 0.4734 0.4734
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0104 0.5797 1
Brugia malayi chromobox protein homolog 3 0.009 0.4757 0.4746
Trichomonas vaginalis chromobox protein, putative 0.0097 0.5265 0.5254
Echinococcus granulosus Chromo domain 0.0026 0.0022 0.0022
Schistosoma mansoni chromobox protein 0.0161 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.009 0.4734 0.4734
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0029 0.0186 0.0186
Schistosoma mansoni immunophilin 0.009 0.4734 0.4734
Schistosoma mansoni immunophilin 0.0104 0.5797 0.5797
Leishmania major fk506-binding protein 1-like protein 0.0104 0.5797 0.5
Loa Loa (eye worm) CHromoDomain protein family member 0.0029 0.0186 0.0164
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0097 0.5265 1
Brugia malayi Bromodomain containing protein 0.0044 0.1349 0.1329
Trichomonas vaginalis conserved hypothetical protein 0.009 0.4757 0.4746
Schistosoma mansoni immunophilin 0.0104 0.5797 0.5797
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0104 0.5797 1
Trichomonas vaginalis chromobox protein, putative 0.0161 1 1
Echinococcus granulosus chromobox protein 1 0.0161 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.4125 0.4112
Loa Loa (eye worm) hypothetical protein 0.0049 0.1721 0.1703
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0104 0.5797 0.5788
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0026 0.0022 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0026 0.0022 0.0022
Schistosoma mansoni bromodomain containing protein 0.0073 0.3488 0.3488
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0104 0.5797 0.5797
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0026 0.0022 0.0022
Onchocerca volvulus Heterochromatin protein 1 homolog 0.009 0.4757 0.9031
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0104 0.5797 0.5
Brugia malayi CHD4 protein 0.0029 0.0186 0.0164
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0026 0.0022 0.0022
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.1146 0.1146
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0026 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0071 0.3313 0.3297
Trichomonas vaginalis conserved hypothetical protein 0.009 0.4757 0.4746
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0104 0.5797 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.4734 0.4722
Brugia malayi Bromodomain containing protein 0.0087 0.4491 0.4479
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0104 0.5797 0.5
Brugia malayi PHD-finger family protein 0.0029 0.0203 0.0181
Schistosoma mansoni chromobox protein 0.0161 1 1
Loa Loa (eye worm) FKBP5 protein 0.0104 0.5797 0.5788
Leishmania major peptidylprolyl isomerase-like protein 0.0104 0.5797 0.5
Echinococcus granulosus chromobox protein 2 0.0026 0.0022 0.0022
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0104 0.5797 0.5788
Echinococcus granulosus chromobox protein 1 0.0161 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.2805 0.2789
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0104 0.5797 0.5
Echinococcus multilocularis chromobox protein 1 0.0161 1 1
Echinococcus multilocularis fk506 binding protein 0.0104 0.5797 0.5797
Schistosoma mansoni chromobox protein 0.0026 0.0022 0.0022
Echinococcus granulosus Chromobox protein 3 0.0026 0.0022 0.0022
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0026 0.0022 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0104 0.5797 1
Loa Loa (eye worm) hypothetical protein 0.009 0.4757 0.4746
Echinococcus multilocularis chromobox protein 2 0.0026 0.0022 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.2805 0.2789
Trichomonas vaginalis chromobox protein, putative 0.0097 0.5265 0.5254
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0104 0.5797 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0161 1 1
Echinococcus multilocularis Chromo domain 0.0026 0.0022 0.0022
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.0044 0.1355 0.1336
Schistosoma mansoni hypothetical protein 0.0026 0.0022 0.0022
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0104 0.5797 0.5
Schistosoma mansoni chromobox protein 0.0026 0.0022 0.0022
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0104 0.5797 0.5797
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0104 0.5797 0.5
Onchocerca volvulus 0.0071 0.3313 0.6276
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0026 0.0022 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0104 0.5797 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 128 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 18 to 24 hrs by microtiter plate method ChEMBL. 20537903

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.