Detailed information for compound 1941992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.436 | Formula: C24H22NO4+
  • H donors: 0 H acceptors: 1 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)ccc2c1CO/C(=C\c1cc[n+](cc1)Cc1ccccc1)/C2=O
  • InChi: 1S/C24H22NO4/c1-27-21-9-8-19-20(24(21)28-2)16-29-22(23(19)26)14-17-10-12-25(13-11-17)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3/q+1/b22-14-
  • InChiKey: MTSGVYHEIFNLAF-HMAPJEAMSA-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
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni peptidylglycine monooxygenase 0.0128 0.5006 0.5006
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0128 0.5006 0.5006
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0015 0.0004 0.0004
Echinococcus multilocularis growth factor receptor bound protein 2 0.0187 0.761 0.761
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni growth factor receptor-bound protein 0.0187 0.761 0.761
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0063 0.2118 0.2118
Schistosoma mansoni growth factor receptor-bound protein 0.0187 0.761 0.761
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0187 0.761 0.761
Echinococcus granulosus growth factor receptor bound protein 2 0.0187 0.761 0.761
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Schistosoma mansoni cathepsin D (A01 family) 0.0185 0.7512 0.7512
Plasmodium falciparum plasmepsin I 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Plasmodium vivax plasmepsin IV, putative 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Brugia malayi aspartic protease BmAsp-1, identical 0.0015 0.0004 0.0004
Loa Loa (eye worm) aspartyl protease 6 0.0015 0.0004 0.0004
Brugia malayi Sex muscle abnormal protein 5 0.0187 0.761 0.761
Plasmodium falciparum plasmepsin VI 0.0063 0.2118 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2118 0.2118
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0065 0.222 0.222
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0063 0.2118 0.2118
Schistosoma mansoni dopamine-beta-monooxygenase 0.0128 0.5006 0.5006
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0063 0.2118 0.5
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0063 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Plasmodium vivax aspartyl proteinase, putative 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.2118 0.2118
Plasmodium falciparum plasmepsin II 0.0063 0.2118 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0015 0.0004 0.0004
Brugia malayi Pepsin A precursor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.5006 0.5006
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004
Schistosoma mansoni cathepsin D (A01 family) 0.0185 0.7512 0.7512
Brugia malayi aspartic protease BmAsp-2, identical 0.0015 0.0004 0.0004
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0063 0.2135 0.2135
Schistosoma mansoni memapsin-2 (A01 family) 0.0015 0.0004 0.0004
Plasmodium falciparum plasmepsin IV 0.0063 0.2118 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0015 0.0004 0.0004

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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