Detailed information for compound 1937998

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.154 | Formula: C17H19BN2O5
  • H donors: 1 H acceptors: 4 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCOC(=O)c1ncc(nc1)Oc1ccc2c(c1)B(O)OC2)C
  • InChi: 1S/C17H19BN2O5/c1-11(2)5-6-23-17(21)15-8-20-16(9-19-15)25-13-4-3-12-10-24-18(22)14(12)7-13/h3-4,7-9,11,22H,5-6,10H2,1-2H3
  • InChiKey: QAARTSSBRCBLGD-UHFFFAOYSA-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
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.00829228 0.930345 0.930345
Echinococcus granulosus proteasome prosome macropain subunit beta 0.00505909 0.462085 0.462085
Echinococcus granulosus proteasome prosome macropain subunit beta 0.00829228 0.930345 0.930345
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.00505909 0.462085 0.462085
Giardia lamblia Proteasome subunit beta type 5 precursor 0.00877323 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.00877323 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.00877323 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.00829228 0.930345 0.930345
Brugia malayi proteasome subunit beta type 1 0.00829228 0.930345 0.930345
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.00877323 1 1
Trypanosoma cruzi 20S proteasome subunit 0.00505909 0.462085 0.462085
Loa Loa (eye worm) proteasome subunit beta type 1 0.00829228 0.930345 0.930345
Loa Loa (eye worm) proteasome subunit beta type 2 0.00505909 0.462085 0.462085
Brugia malayi proteasome subunit beta type 2 0.00505909 0.462085 0.462085
Plasmodium falciparum proteasome subunit beta type-2, putative 0.00505909 0.462085 0.462085
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.00829228 0.930345 0.930345
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.00877323 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.00877323 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.00877323 1 1
Mycobacterium ulcerans proteasome PrcB 0.00877323 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.00877323 1 1
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.00505909 0.462085 0.462085
Giardia lamblia Proteasome subunit beta type 2 0.00505909 0.462085 0.462085
Toxoplasma gondii proteasome subunit beta type, putative 0.00877323 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.00877323 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.00877323 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.00877323 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.00829228 0.930345 0.930345
Echinococcus multilocularis proteasome (prosome, macropain) 0.00877323 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.00505909 0.462085 0.462085
Leishmania major proteasome beta 5 subunit, putative 0.00877323 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.00877323 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.00829228 0.930345 0.930345
Onchocerca volvulus Notchless protein homolog 0.00186854 0 0.5
Echinococcus granulosus proteasome prosome macropain 0.00877323 1 1
Leishmania major proteasome beta 2 subunit, putative 0.00505909 0.462085 0.462085
Toxoplasma gondii proteasome subunit beta type 2, putative 0.00505909 0.462085 0.462085
Plasmodium vivax proteasome subunit beta type-1, putative 0.00829228 0.930345 0.930345
Trypanosoma brucei proteasome subunit beta type-2, putative 0.00505909 0.462085 0.462085
Plasmodium vivax proteasome subunit beta type-2, putative 0.00505909 0.462085 0.462085
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.00505909 0.462085 0.462085
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.00186854 0 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.00877323 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.00829228 0.930345 0.930345
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.00829228 0.930345 0.930345
Entamoeba histolytica proteasome subunit beta type 1, putative 0.00829228 0.930345 0.930345
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.00505909 0.462085 0.462085
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.00829228 0.930345 0.930345
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.00505909 0.462085 0.462085
Giardia lamblia Proteasome subunit beta type 1 0.00829228 0.930345 0.930345
Toxoplasma gondii proteasome subunit beta type 1, putative 0.00829228 0.930345 0.930345
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.00505909 0.462085 0.462085

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.4 nM Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 cultured in human erythrocytes assessed as inhibition of parasite growth incubated for 48 hrs by YOYO-1 staining based flow cytometry ChEMBL. 26067904

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 26067904

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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