Detailed information for compound 334031

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.473 | Formula: C24H24N4O2
  • H donors: 1 H acceptors: 2 LogP: 4.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1nc(nc(c1)c1c[nH]c2c1cccc2)N1CCCC1
  • InChi: 1S/C24H24N4O2/c1-29-22-10-9-16(13-23(22)30-2)20-14-21(27-24(26-20)28-11-5-6-12-28)18-15-25-19-8-4-3-7-17(18)19/h3-4,7-10,13-15,25H,5-6,11-12H2,1-2H3
  • InChiKey: WDQMJOZFPRCKGG-UHFFFAOYSA-N  

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) nuclear hormone receptor family member nhr-49 0.0027 0.0078 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.0078 0.0161
Onchocerca volvulus Huntingtin homolog 0.0118 0.2923 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0699 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.0078 0.0161
Brugia malayi nuclear receptor NHR-88 0.0027 0.0078 0.0161
Loa Loa (eye worm) macrophage migration inhibitory factor 0.018 0.4837 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0699 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0699 0.0626
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.0078 0.0161
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.0078 0.0161
Brugia malayi steroid hormone receptor 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0078 0.0161
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.018 0.4837 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.2923 0.6042
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.0078 0.0161
Plasmodium falciparum macrophage migration inhibitory factor 0.018 0.4837 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0078 0.0161
Brugia malayi ecdysteroid receptor 0.0027 0.0078 0.0161
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0 0.5
Brugia malayi Bm-MIF-1, identical 0.018 0.4837 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0699 0.0626
Brugia malayi hypothetical protein 0.0118 0.2923 0.6042
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.0078 0.0161
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0078 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0078 0.0161
Loa Loa (eye worm) hypothetical protein 0.0118 0.2923 0.6042
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0078 0.0161
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0699 0.1445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.0078 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.0078 0.0161
Brugia malayi nuclear hormone receptor 0.0027 0.0078 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Plasmodium vivax macrophage migration inhibitory factor, putative 0.018 0.4837 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0699 1
Trichomonas vaginalis conserved hypothetical protein 0.018 0.4837 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.0078 0.0161
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.018 0.4837 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.0078 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0699 0.0626
Leishmania major macrophage migration inhibitory factor-like protein 0.018 0.4837 1
Onchocerca volvulus Huntingtin homolog 0.0118 0.2923 1
Giardia lamblia Macrophage migration inhibitory factor 0.018 0.4837 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.018 0.4837 1
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.0078 0.0161
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0077 0.1629 0.3369
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0077 0.1629 0.3369
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0078 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0078 0.0161
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0699 0.1445
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0699 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0078 0.0161
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.018 0.4837 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 10 ug ml-1 In vitro minimum inhibitory concentration against Plasmodium falciparum NF-54 strain development during 40 hours incubation ChEMBL. 15925306

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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