Detailed information for compound 1796293

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.453 | Formula: C25H21N3O2
  • H donors: 0 H acceptors: 1 LogP: 5.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCCOc1cccc(c1)/C=N/n1c(nc2c(c1=O)cccc2)c1ccccc1
  • InChi: 1S/C25H21N3O2/c1-2-3-16-30-21-13-9-10-19(17-21)18-26-28-24(20-11-5-4-6-12-20)27-23-15-8-7-14-22(23)25(28)29/h2,4-15,17-18H,1,3,16H2/b26-18+
  • InChiKey: OTPLIYLRFDSIGN-NLRVBDNBSA-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
Onchocerca volvulus Putative fad oxidoreductase 0.0104 0.0678 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0104 0.0678 0.5
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1146 0.9152 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0678 0.0678
Mycobacterium ulcerans D-amino acid oxidase Aao 0.125 1 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0104 0.0678 0.5
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0104 0.0678 0.0678
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0104 0.0678 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0104 0.0678 0.5
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0104 0.0678 0.5
Schistosoma mansoni d-amino acid oxidase 0.125 1 1
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0104 0.0678 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0104 0.0678 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0411 0.0411
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0104 0.0678 0.0678
Schistosoma mansoni fad oxidoreductase 0.0104 0.0678 0.0678
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0104 0.0678 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0016 0.0016
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.032 0.4599
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0125 0.1657
Schistosoma mansoni bromodomain containing protein 0.0064 0.035 0.035
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.032 0.4599
Brugia malayi RE18450p 0.0104 0.0678 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0104 0.0678 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0104 0.0678 0.5
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0104 0.0678 0.5
Toxoplasma gondii hypothetical protein 0.0104 0.0678 0.5
Brugia malayi cDNA sequence BC016226 0.0104 0.0678 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0104 0.0678 0.5
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0104 0.0678 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0104 0.0678 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0165 0.0165
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0104 0.0678 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.0678 0.0678
Loa Loa (eye worm) hypothetical protein 0.0039 0.0145 0.0145
Brugia malayi Bromodomain containing protein 0.0039 0.0145 0.1707
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0104 0.0678 0.5
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0104 0.0678 1
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0104 0.0678 0.5
Brugia malayi Bromodomain containing protein 0.0076 0.0446 0.6386
Schistosoma mansoni fad oxidoreductase 0.0104 0.0678 0.0678
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0125 0.1657
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0104 0.0678 0.0678
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0104 0.0678 0.5
Leishmania major hypothetical protein, conserved 0.0104 0.0678 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0181 0.0181
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0104 0.0678 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0104 0.0678 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0104 0.0678 0.5
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0104 0.0678 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0104 0.0678 1
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0104 0.0678 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0104 0.0678 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.125 1 1
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0104 0.0678 1
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0104 0.0678 0.5
Leishmania major hypothetical protein, conserved 0.0104 0.0678 0.5
Schistosoma mansoni NAD dehydrogenase 0.0104 0.0678 0.0678
Loa Loa (eye worm) hypothetical protein 0.0104 0.0678 0.0678

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in albino CF-1 Mus musculus (mouse) assessed as motor impairment at 300 mg/kg measured after 0.5 hr by rotarod test ChEMBL. No reference
Activity (ADMET) Toxicity in albino CF-1 Mus musculus (mouse) assessed as motor impairment at 300 mg/kg measured after 4 hr by rotarod test ChEMBL. No reference
Activity (ADMET) = 110.81 % Induction of CNS depressant activity in albino CF-1 Mus musculus (mouse) assessed as increase in immobility at 100 mg/kg, ip measured after 30 min by Porsolt's force swim pool method ChEMBL. No reference
MED (functional) = 100 mg kg-1 Anticonvulsant activity in albino CF-1 Mus musculus (mouse) assessed as minimum dose required to protect half or more animals against maximal electroshock-induced seizures measured after 4 hr by electroshock seizure method ChEMBL. No reference
MED (functional) = 300 mg kg-1 Anticonvulsant activity in albino CF-1 Mus musculus (mouse) assessed as minimum dose required to protect half or more animals against maximal electroshock-induced seizures measured after 0.5 hr by electroshock seizure method ChEMBL. No reference
TIME (ADMET) = 111.1 s Induction of CNS depressant activity in albino CF-1 Mus musculus (mouse) assessed as duration of immobility at 100 mg/kg, ip measured after 30 min by Porsolt's force swim pool method (Rvb = 52.7 +/-0.70 secs) ChEMBL. No reference

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.

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