Detailed information for compound 1880062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.447 | Formula: C26H18N4O2
  • H donors: 3 H acceptors: 3 LogP: 4.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1O)C(c1c[nH]c2c1cc(C#N)cc2)c1c[nH]c2c1cc(C#N)cc2
  • InChi: 1S/C26H18N4O2/c1-32-24-4-2-3-17(26(24)31)25(20-13-29-22-7-5-15(11-27)9-18(20)22)21-14-30-23-8-6-16(12-28)10-19(21)23/h2-10,13-14,25,29-31H,1H3
  • InChiKey: XCDNNUDBWBYSLR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Beta-glucuronidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glycosyl hydrolase family 2 Get druggable targets OG5_131767 All targets in OG5_131767
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131767 All targets in OG5_131767
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein Get druggable targets OG5_131767 All targets in OG5_131767
Loa Loa (eye worm) beta-glucuronidase Get druggable targets OG5_131767 All targets in OG5_131767
Brugia malayi Beta-glucuronidase precursor Get druggable targets OG5_131767 All targets in OG5_131767

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 0.0145 0.3991 0.4221
Echinococcus granulosus tissue type plasminogen activator 0.0145 0.3991 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0145 0.3991 0.4221
Plasmodium falciparum cysteine repeat modular protein 1 0.0145 0.3991 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0047 0.0108 0.0272
Loa Loa (eye worm) hypothetical protein 0.0044 0.001 0.0011
Brugia malayi Protein kinase domain containing protein 0.0145 0.3991 0.4221
Schistosoma mansoni hypothetical protein 0.0145 0.3991 1
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0283 0.9456 1
Loa Loa (eye worm) beta-glucuronidase 0.0275 0.9139 0.9664
Trichomonas vaginalis beta-galactosidase, putative 0.0296 1 1
Toxoplasma gondii kringle domain-containing protein 0.0145 0.3991 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.5331 0.5638
Onchocerca volvulus 0.0145 0.3991 1
Trichomonas vaginalis conserved hypothetical protein 0.0296 1 1
Onchocerca volvulus 0.0055 0.0423 0.106
Schistosoma mansoni hypothetical protein 0.0104 0.2385 0.5974
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0145 0.3991 0.5
Brugia malayi manba-prov protein 0.0096 0.2067 0.2186
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0283 0.9456 1
Entamoeba histolytica beta-galactosidase, putative 0.02 0.6192 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0423 0.0448
Brugia malayi Beta-glucuronidase precursor 0.0275 0.9139 0.9664
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.3991 0.5
Brugia malayi Kringle domain containing protein 0.0145 0.3991 0.4221
Brugia malayi Muscle positioning protein 4 0.0055 0.0423 0.0448
Leishmania major hypothetical protein, conserved 0.0145 0.3991 0.5
Schistosoma mansoni beta-mannosidase 0.0096 0.2067 0.5179
Echinococcus multilocularis tissue type plasminogen activator 0.0145 0.3991 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.8 uM Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry ChEMBL. 24602903

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.