Detailed information for compound 986890

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.39 | Formula: C19H24O6
  • H donors: 3 H acceptors: 5 LogP: -0.11 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[C@@H](C(=C)C)[C@H]2[C@@]([C@H](C1)O)(O)[C@@H]1[C@@H]3C(=C2)C(=O)O[C@@H]3C[C@]1(C)O
  • InChi: 1S/C19H24O6/c1-8(2)10-4-9(20)5-14(21)19(24)12(10)6-11-15-13(25-17(11)22)7-18(3,23)16(15)19/h6,10,12-16,21,23-24H,1,4-5,7H2,2-3H3/t10-,12-,13+,14-,15+,16+,18-,19-/m0/s1
  • InChiKey: LGLJIBDNZYKDFW-CFGJZDLSSA-N  

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
Leishmania major hypothetical protein, conserved 0.0036 0.0073 0.5
Mycobacterium tuberculosis Conserved protein 0.0036 0.0073 0.0073
Brugia malayi beta-lactamase family protein 0.0036 0.0073 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0073 0.5
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0086 0.26 0.5951
Mycobacterium ulcerans beta-lactamase 0.0036 0.0073 0.0166
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0073 0.0166
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Brugia malayi beta-lactamase 0.0036 0.0073 0.5
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0062 0.136 0.3111
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0073 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0073 0.0166
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0073 0.5
Mycobacterium tuberculosis Conserved protein 0.0036 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Mycobacterium tuberculosis Conserved protein 0.0036 0.0073 0.0073
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0183 0.7499 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0086 0.26 0.26
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0121 0.437 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0073 0.0166
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0073 0.0073
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0062 0.136 0.136
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0073 0.0073
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0073 0.0073
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0073 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0073 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0073 0.5
Onchocerca volvulus 0.0036 0.0073 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0073 0.0073
Onchocerca volvulus 0.0036 0.0073 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0073 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0073 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0073 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0073 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0062 0.136 0.3111
Mycobacterium leprae Probable lipase LipE 0.0036 0.0073 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0073 0.0073
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0086 0.26 0.5951
Toxoplasma gondii ABC1 family protein 0.0036 0.0073 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0073 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0073 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0073 0.0073
Trichomonas vaginalis aldehyde oxidase, putative 0.0183 0.7499 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0183 0.7499 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0073 0.0166
Onchocerca volvulus 0.0036 0.0073 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0054 0.0978 0.2238

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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