Detailed information for compound 822874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.516 | Formula: C25H29N3O3
  • H donors: 2 H acceptors: 3 LogP: 4.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C1N(CCCOC(C)C)C(=O)c2c1c(n[nH]2)c1ccccc1O
  • InChi: 1S/C25H29N3O3/c1-4-17-10-12-18(13-11-17)24-21-22(19-8-5-6-9-20(19)29)26-27-23(21)25(30)28(24)14-7-15-31-16(2)3/h5-6,8-13,16,24,29H,4,7,14-15H2,1-3H3,(H,26,27)
  • InChiKey: NHCSVPYHBLUKIR-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0053 0.0449 0.102
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.1139 0.259
Schistosoma mansoni tar DNA-binding protein 0.02 0.4399 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.2121 0.4821
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0449 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0449 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0449 0.5
Brugia malayi RNA recognition motif domain containing protein 0.02 0.4399 1
Onchocerca volvulus 0.006 0.0626 0.5
Brugia malayi RNA binding protein 0.02 0.4399 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0626 0.1423
Loa Loa (eye worm) TAR-binding protein 0.02 0.4399 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0449 0.5
Schistosoma mansoni tar DNA-binding protein 0.02 0.4399 1
Leishmania major hypothetical protein, conserved 0.0053 0.0449 0.5
Brugia malayi hypothetical protein 0.0053 0.0449 0.102
Loa Loa (eye worm) RNA binding protein 0.02 0.4399 1
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0449 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.1139 0.259
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.4399 1
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.2121 0.4821
Schistosoma mansoni tar DNA-binding protein 0.02 0.4399 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.4399 1
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0449 0.5
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0626 0.1423
Schistosoma mansoni tar DNA-binding protein 0.02 0.4399 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.2121 0.4821
Brugia malayi TAR-binding protein 0.02 0.4399 1
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0449 0.5
Echinococcus multilocularis tar DNA binding protein 0.02 0.4399 0.4399
Schistosoma mansoni hypothetical protein 0.0079 0.1139 0.259
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.2121 0.4821
Echinococcus granulosus tar DNA binding protein 0.02 0.4399 0.4399

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 15 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 15 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) > 15 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 29.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428
Percent growth inhibition (functional) = 51.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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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