Detailed information for compound 1708574

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 562.618 | Formula: C32H30N6O4
  • H donors: 1 H acceptors: 4 LogP: 3.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C1=Nc2ccccc2NC(=O)C1N(C(=O)c1cnc(cn1)C)c1ccc(cc1)N1CCOCC1
  • InChi: 1S/C32H30N6O4/c1-21-19-34-28(20-33-21)32(40)38(24-11-9-23(10-12-24)37-15-17-42-18-16-37)30-29(22-7-13-25(41-2)14-8-22)35-26-5-3-4-6-27(26)36-31(30)39/h3-14,19-20,30H,15-18H2,1-2H3,(H,36,39)
  • InChiKey: HJGQMCMXDGKPAD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245

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
Plasmodium vivax potassium channel, putative 0.0036 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0036 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0036 0 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0036 0 0.5
Leishmania major ion transport protein-like protein 0.0036 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0036 0 0.5
Leishmania major hypothetical protein, conserved 0.0036 0 0.5
Brugia malayi glutaminase DH11.1 0.033 0.5164 0.5164
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Loa Loa (eye worm) glutaminase 0.033 0.5164 0.5164
Trypanosoma brucei calcium-activated potassium channel, putative 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0569 0.936 0.936
Schistosoma mansoni twik family of potassium channels-related 0.0605 1 1
Onchocerca volvulus 0.0036 0 0.5
Toxoplasma gondii ion channel protein 0.0036 0 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0036 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0036 0 0.5
Leishmania major potassium channel subunit-like protein 0.0036 0 0.5
Loa Loa (eye worm) glutaminase 2 0.033 0.5164 0.5164
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0036 0 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0605 1 1
Plasmodium vivax potassium channel, putative 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Plasmodium falciparum potassium channel 0.0036 0 0.5
Leishmania major hypothetical protein, conserved 0.0036 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0.5164 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0036 0 0.5
Giardia lamblia Hypothetical protein 0.0036 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0605 1 1
Schistosoma mansoni glutaminase 0.033 0.5164 0.5164
Onchocerca volvulus 0.0036 0 0.5
Mycobacterium ulcerans glutaminase 0.033 0.5164 1
Leishmania major calcium/potassium channel (CAKC), putative 0.0036 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0605 1 1
Onchocerca volvulus 0.0036 0 0.5
Plasmodium falciparum potassium channel 0.0036 0 0.5
Toxoplasma gondii ion channel protein 0.0036 0 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0605 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference

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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