Detailed information for compound 1788921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.897 | Formula: C19H29ClN2O5
  • H donors: 4 H acceptors: 4 LogP: 3.76 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@H](Cc1ccc(c(c1)O)O)NC(=O)[C@H](CC1CCCCC1)N.Cl
  • InChi: 1S/C19H28N2O5.ClH/c1-26-19(25)15(10-13-7-8-16(22)17(23)11-13)21-18(24)14(20)9-12-5-3-2-4-6-12;/h7-8,11-12,14-15,22-23H,2-6,9-10,20H2,1H3,(H,21,24);1H/t14-,15-;/m0./s1
  • InChiKey: FVEOSPDAZDHAHF-YYLIZZNMSA-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
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type VI, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0497 0.7711 0.8884
Trichomonas vaginalis adenylate cyclase type, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Mycobacterium leprae Possible transporter protein 0.0062 0 0.5
Trichomonas vaginalis intestinal guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis adenylyl cyclase type V, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0552 0.868 0.868
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0497 0.7711 1
Schistosoma mansoni serine/threonine protein kinase 0.0552 0.868 1
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0497 0.7711 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trypanosoma brucei STE group serine/threonine-protein kinase, putative 0.0068 0.0099 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type III, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type IX, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type, putative 0.0062 0 0.5
Onchocerca volvulus 0.0626 1 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0497 0.7711 0.7711
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0552 0.868 1
Trichomonas vaginalis adenylate cyclase type, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type III, putative 0.0062 0 0.5
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0497 0.7711 0.7711
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase type vIII, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase beta 2 subunit, putative 0.0062 0 0.5
Trichomonas vaginalis guanylate cyclase beta 1 subunit, putative 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0062 0 0.5

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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