Detailed information for compound 1879909

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.41 | Formula: C21H20N4
  • H donors: 0 H acceptors: 3 LogP: 4.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1cccc(c1)c1ccc2n(n1)c(cn2)c1ccncc1)(C)C
  • InChi: 1S/C21H20N4/c1-21(2,3)17-6-4-5-16(13-17)18-7-8-20-23-14-19(25(20)24-18)15-9-11-22-12-10-15/h4-14H,1-3H3
  • InChiKey: BJSMAJYWCAECFG-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

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
Onchocerca volvulus 0.00245171 0.474139 0.661405
Onchocerca volvulus 0.00290482 0.667886 1
Brugia malayi SEA domain containing protein 0.00245171 0.474139 0.661405
Echinococcus granulosus tissue type plasminogen activator 0.00156661 0.095678 0.5
Loa Loa (eye worm) DOMON domain-containing protein 0.00245171 0.474139 0.661405
Plasmodium falciparum cysteine repeat modular protein 1 0.00156661 0.095678 0.5
Brugia malayi Muscle positioning protein 4 0.00290482 0.667886 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.00368153 1 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.00156661 0.095678 0.5
Schistosoma mansoni hypothetical protein 0.00156661 0.095678 0.095678
Onchocerca volvulus 0.00245171 0.474139 0.661405
Onchocerca volvulus 0.00245171 0.474139 0.661405
Onchocerca volvulus 0.00245171 0.474139 0.661405
Toxoplasma gondii kringle domain-containing protein 0.00156661 0.095678 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.00173969 0.169687 0.169687
Echinococcus multilocularis tissue type plasminogen activator 0.00156661 0.095678 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.00156661 0.095678 0.5
Loa Loa (eye worm) hypothetical protein 0.00290482 0.667886 1
Leishmania major hypothetical protein, conserved 0.00156661 0.095678 0.5
Schistosoma mansoni hypothetical protein 0.00245171 0.474139 0.474139
Loa Loa (eye worm) hypothetical protein 0.00245171 0.474139 0.661405

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 122 nM Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 ChEMBL. 24568587
IC50 (functional) = 137 nM Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 ChEMBL. 24568587

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 24568587

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.