Detailed information for compound 1489094

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.451 | Formula: C20H30O2
  • H donors: 0 H acceptors: 1 LogP: 3.94 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C/1=C\C[C@@]2(C)C(=O)C[C@@H]([C@@H]2CC[C@]2([C@H](CC1)O2)C)C(=C)C
  • InChi: 1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8+/t15-,16+,18+,19-,20+/m1/s1
  • InChiKey: BGCBFCPMURPDPJ-DKMZEYLLSA-N  


Substructure search Similarity search

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
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.2134 0.4358
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0128 0.4896 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.2134 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.2134 0.5
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0128 0.4896 1
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0128 0.4896 0.4622
Loa Loa (eye worm) hypothetical protein 0.0076 0.2134 0.1712
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0128 0.4896 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2134 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.4406 0.4106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0509 0.104
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2134 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0128 0.4896 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.2134 0.3334
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0509 0.104
Brugia malayi hypothetical protein 0.0119 0.4406 0.4406
Echinococcus granulosus ras gtp binding protein rho1 0.0111 0.3999 0.8169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0509 0.104
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.2134 0.4358
Echinococcus multilocularis ras gtp binding protein rho1 0.0111 0.3999 0.8169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0509 0.104
Brugia malayi Probable ClpP-like protease 0.0076 0.2134 0.2134
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2134 0.5
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0128 0.4896 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0509 0.0509
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0752 0.1536
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2134 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.4406 0.4106
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0752 0.1536
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0509 0.104
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.0128 0.4896 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2134 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.2134 0.4358
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0509 0.104
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0128 0.4896 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2134 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0509 0.104
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0128 0.4896 0.5
Mycobacterium ulcerans aldehyde dehydrogenase (NAD+) dependent 0.0128 0.4896 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase (NAD+) dependent 0.0128 0.4896 1
Brugia malayi Aldehyde dehydrogenase protein 4 0.0128 0.4896 0.4896
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.0128 0.4896 0.5
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0128 0.4896 1
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0128 0.4896 1
Onchocerca volvulus Aldehyde dehydrogenase homolog 0.0128 0.4896 1

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.

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