Detailed information for compound 1063349

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.409 | Formula: C21H20N4O3
  • H donors: 3 H acceptors: 1 LogP: 2.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)C/N=C\1/N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1
  • InChi: 1S/C21H20N4O3/c1-27-18-8-7-13(9-19(18)28-2)11-23-21-24-17(20(26)25-21)10-14-12-22-16-6-4-3-5-15(14)16/h3-10,12,22H,11H2,1-2H3,(H2,23,24,25,26)/b17-10-
  • InChiKey: ZKTQYLADOUNRHE-YVLHZVERSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 0.004 0.098 0.098
Brugia malayi Bromodomain containing protein 0.0078 0.2714 0.2456
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1999 0.811
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0231 0.0597
Entamoeba histolytica hypothetical protein 0.0072 0.2443 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0238 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2512 0.2512
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.199 0.8074
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.2443 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.199 0.8074
Loa Loa (eye worm) RNA binding protein 0.0062 0.1999 0.1999
Entamoeba histolytica hypothetical protein 0.0072 0.2443 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.014 0.0213
Brugia malayi Bromodomain containing protein 0.004 0.0977 0.0656
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1999 0.1999
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.2443 1
Entamoeba histolytica hypothetical protein 0.0072 0.2443 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0231 0.0597
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0231 0.0597
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1999 0.1999
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1999 0.811
Brugia malayi RNA binding protein 0.0062 0.1999 0.1714
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0865 0.3291
Brugia malayi hypothetical protein 0.0072 0.2443 0.2175
Schistosoma mansoni hypothetical protein 0.0072 0.2443 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1999 0.811
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1999 0.1714
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1999 0.811
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.2443 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.216 0.8794
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1999 0.811
Loa Loa (eye worm) hypothetical protein 0.0042 0.1092 0.1092
Echinococcus granulosus tar DNA binding protein 0.0062 0.1999 0.811
Entamoeba histolytica hypothetical protein 0.0072 0.2443 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.014 0.014
Brugia malayi TAR-binding protein 0.0062 0.1999 0.1714
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0865 0.3291
Loa Loa (eye worm) hypothetical protein 0.0044 0.1183 0.1183
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1999 0.811
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 promastigote carrying firefly luciferase gene infected in mouse J774A1 cells assessed as relative luminescence unit at 10 ug/mL after 72 hrs ChEMBL. 19743860
Inhibition (functional) Antileishmanial activity against Leishmania donovani MHOM/IN/Dd8 amastigote carrying firefly luciferase gene infected in mouse J774A1 cells assessed as relative luminescence unit at 12.5 ug/mL after 72 hrs ChEMBL. 19743860

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.