Detailed information for compound 1009930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.966 | Formula: C24H31ClN2O5
  • H donors: 0 H acceptors: 2 LogP: 3.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@@H]1Cc2c(OC)cccc2N(C(=O)[C@@H]1OC(=O)C)CCN(C)C.Cl
  • InChi: 1S/C24H30N2O5.ClH/c1-16(27)31-23-19(17-9-11-18(29-4)12-10-17)15-20-21(7-6-8-22(20)30-5)26(24(23)28)14-13-25(2)3;/h6-12,19,23H,13-15H2,1-5H3;1H/t19-,23+;/m0./s1
  • InChiKey: MSRWRWLGKHLUON-ADMBKAPUSA-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
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3841 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0118 0.2766 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0121 0.2893 0.5857
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0118 0.2766 0.5
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0121 0.2893 0.5152
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0173 0.0309
Treponema pallidum fructose-bisphosphate aldolase 0.0295 1 1
Echinococcus multilocularis sodium channel protein 0.0054 0.0163 0.033
Echinococcus multilocularis geminin 0.0171 0.494 1
Onchocerca volvulus Ribonuclease H1 homolog 0.005 0 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0121 0.2893 0.5857
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0121 0.2893 0.5857
Trichomonas vaginalis conserved hypothetical protein 0.0169 0.4852 0.4852
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0075 0.1036 0.1845
Trypanosoma brucei unspecified product 0.0054 0.0173 0.0309
Schistosoma mansoni hypothetical protein 0.0171 0.494 0.8797
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0121 0.2893 0.5152
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0118 0.2766 0.5
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0121 0.2893 0.5857
Trypanosoma brucei ingi protein (ORF1) 0.0054 0.0173 0.0309
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0121 0.2893 0.5857
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 1 0.5
Schistosoma mansoni voltage-gated cation channel 0.0121 0.2893 0.5152
Schistosoma mansoni hypothetical protein 0.0187 0.5615 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3841 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0121 0.2893 0.56
Leishmania major ribonuclease H1, putative 0.005 0 0.5
Trypanosoma brucei RNA helicase, putative 0.0187 0.5615 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0075 0.1036 1
Trypanosoma brucei ingi protein (ORF1) 0.0054 0.0173 0.0309
Toxoplasma gondii ribonuclease HI protein 0.005 0 0.5
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0054 0.0163 0.033
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3841 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.5166 1
Echinococcus multilocularis voltage dependent calcium channel 0.0121 0.2893 0.5857
Schistosoma mansoni hypothetical protein 0.0171 0.494 0.8797
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0121 0.2893 0.5857
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0118 0.2766 0.2766
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0176 0.5166 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0054 0.0173 0.0309
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0121 0.2893 0.5857
Echinococcus granulosus geminin 0.0171 0.494 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 1 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0118 0.2766 0.5
Echinococcus granulosus voltage dependent calcium channel 0.0121 0.2893 0.5857
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0121 0.2893 0.5857
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 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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