Detailed information for compound 1832690

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.52 | Formula: C24H30N4O3
  • H donors: 2 H acceptors: 5 LogP: 6.33 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(c(cc1OCCCCCC(c1nnn[nH]1)(C)C)O)C(=O)c1ccccc1
  • InChi: 1S/C24H30N4O3/c1-4-17-15-19(22(30)18-11-7-5-8-12-18)20(29)16-21(17)31-14-10-6-9-13-24(2,3)23-25-27-28-26-23/h5,7-8,11-12,15-16,29H,4,6,9-10,13-14H2,1-3H3,(H,25,26,27,28)
  • InChiKey: SZWDOUFCFLUFOJ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C nuclear receptor subfamily 1, group H, member 4 476 aa 402 aa 28.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0219 0.0791 0.0791
Onchocerca volvulus Putative fad oxidoreductase 0.0219 0.0791 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0219 0.0791 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0219 0.0791 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0219 0.0791 0.5
Toxoplasma gondii hypothetical protein 0.0219 0.0791 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0219 0.0791 0.5
Schistosoma mansoni NAD dehydrogenase 0.0219 0.0791 0.0791
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0219 0.0791 0.5
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0219 0.0791 0.5
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0219 0.0791 0.0791
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0219 0.0791 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0219 0.0791 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0219 0.0791 0.5
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0219 0.0791 1
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0219 0.0791 1
Brugia malayi cDNA sequence BC016226 0.0219 0.0791 1
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0219 0.0791 1
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0219 0.0791 1
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0219 0.0791 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0219 0.0791 0.5
Schistosoma mansoni fad oxidoreductase 0.0219 0.0791 0.0791
Schistosoma mansoni fad oxidoreductase 0.0219 0.0791 0.0791
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0219 0.0791 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.0791 0.0791
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0219 0.0791 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0219 0.0791 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0219 0.0791 1
Leishmania major hypothetical protein, conserved 0.0219 0.0791 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.0791 0.0791
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0219 0.0791 0.0791
Brugia malayi RE18450p 0.0219 0.0791 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.2414 0.9163 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0219 0.0791 0.5
Leishmania major hypothetical protein, conserved 0.0219 0.0791 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0219 0.0791 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0219 0.0791 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0219 0.0791 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0219 0.0791 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0219 0.0791 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.0791 0.0791
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0219 0.0791 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0219 0.0791 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0219 0.0791 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.1 uM Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluorescence based HTRF assay ChEMBL. 24513188

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

1 literature reference was collected for this gene.

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