Detailed information for compound 1883076

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.45 | Formula: C20H30O4
  • H donors: 2 H acceptors: 3 LogP: 3.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1[C@H](O)[C@@H](C)[C@]([C@@]2([C@@H]1C(C)(C)CCC2)C)(O)CCc1cocc1
  • InChi: 1S/C20H30O4/c1-13-15(21)16(22)17-18(2,3)8-5-9-19(17,4)20(13,23)10-6-14-7-11-24-12-14/h7,11-13,15,17,21,23H,5-6,8-10H2,1-4H3/t13-,15-,17+,19+,20-/m1/s1
  • InChiKey: PVHCSUICRAIGCK-YJLWDSPXSA-N  


Substructure search Similarity search

Network

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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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Onchocerca volvulus Cathepsin F homolog 0.0031 0.1053 1
Loa Loa (eye worm) fibroinase 0.0031 0.1053 0.1723
Onchocerca volvulus 0.0031 0.1053 1
Onchocerca volvulus 0.0031 0.1053 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0092 0.7404 0.7098
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0107 0.8947 0.8824
Echinococcus granulosus cathepsin l1 0.0031 0.1053 0.1723
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.008 0.6111 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.008 0.6111 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Loa Loa (eye worm) ctsf protein 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Onchocerca volvulus Cathepsin L homolog 0.0031 0.1053 1
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Trypanosoma cruzi cysteine peptidase, putative 0.0118 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Onchocerca volvulus 0.0031 0.1053 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.008 0.6111 1
Onchocerca volvulus Cathepsin L homolog 0.0031 0.1053 1
Loa Loa (eye worm) cysteine protease 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trypanosoma cruzi cruzipain precursor, putative 0.0118 1 1
Leishmania major cathepsin L-like protease 0.0118 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.008 0.6111 1
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Trypanosoma cruzi cysteine peptidase, putative 0.0118 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Entamoeba histolytica cysteine proteinase, putative 0.0031 0.1053 0.1723
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi ubiquitin conjugating enzyme protein 13 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.008 0.6111 0.5653
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Onchocerca volvulus 0.0031 0.1053 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Onchocerca volvulus 0.0031 0.1053 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Onchocerca volvulus 0.0031 0.1053 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Echinococcus granulosus cathepsin L cysteine proteinase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi Papain family cysteine protease containing protein 0.0031 0.1053 0.1723
Schistosoma mansoni cathepsin F (C01 family) 0.0031 0.1053 0.1723
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.008 0.6111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.008 0.6111 1
Onchocerca volvulus 0.0031 0.1053 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0031 0.1053 0.1723
Brugia malayi Cathepsin L-like precursor 0.0031 0.1053 0.1723
Loa Loa (eye worm) hypothetical protein 0.0031 0.1053 0.1723
Echinococcus granulosus cathepsin l cysteine peptidase 0.0031 0.1053 0.1723
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.008 0.6111 1
Entamoeba histolytica cysteine protease, putative 0.0031 0.1053 0.1723
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.008 0.6111 0.5653
Trypanosoma cruzi cysteine peptidase, putative 0.0118 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.008 0.6111 0.5653
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0031 0.1053 0.1723
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0031 0.1053 0.1723
Leishmania major cathepsin L-like protease 0.0118 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0118 1 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.

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