Detailed information for compound 36787

Basic information

Technical information
  • TDR Targets ID: 36787
  • Name: 4-oxo-N,1,2,6-tetraphenylpyridine-3-carboxami de
  • MW: 442.508 | Formula: C30H22N2O2
  • H donors: 1 H acceptors: 2 LogP: 6.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(=O)cc(n(c1c1ccccc1)c1ccccc1)c1ccccc1)Nc1ccccc1
  • InChi: 1S/C30H22N2O2/c33-27-21-26(22-13-5-1-6-14-22)32(25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)28(27)30(34)31-24-17-9-3-10-18-24/h1-21H,(H,31,34)
  • InChiKey: FEYBKXCWYSNHPC-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-oxo-N,1,2,6-tetraphenyl-pyridine-3-carboxamide
  • 4-oxo-N,1,2,6-tetraphenyl-3-pyridinecarboxamide
  • 4-keto-N,1,2,6-tetraphenyl-nicotinamide
  • 4-oxo-N,1,2,6-tetra(phenyl)pyridine-3-carboxamide
  • 4-oxo-N,1,2,6-tetra(phenyl)-3-pyridinecarboxamide
  • 4-keto-N,1,2,6-tetra(phenyl)nicotinamide
  • 59541-92-3
  • 1,4-Dihydro-4-oxo-N,1,2,6-tetraphenylnicotinamide
  • 1,4-Dihydro-N,1,2,6-tetraphenyl-4-oxo-3-pyridinecarboxamide
  • 5-22-06-00485 (Beilstein Handbook Reference)
  • BRN 0500523
  • Nicotinamide, 1,4-dihydro-4-oxo-N,1,2,6-tetraphenyl-

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
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2 0.0184 1 1
Plasmodium falciparum 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Loa Loa (eye worm) pgd protein 0.0184 1 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating 0.011 0.5329 0.467
Echinococcus multilocularis 6 phosphogluconate dehydrogenase 0.0184 1 1
Mycobacterium leprae PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1 0.0184 1 1
Trypanosoma brucei 6-phosphogluconate dehydrogenase, decarboxylating 0.0184 1 1
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0165 0.881 0.8642
Schistosoma mansoni 6-phosphogluconate dehydrogenase 0.0184 1 1
Plasmodium vivax 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Treponema pallidum 6-phosphogluconate dehydrogenase 0.0184 1 1
Schistosoma mansoni transcription initiation factor iia (tfiia) gamma chain 0.0075 0.3119 0.2148
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0184 1 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0075 0.3119 0.2148
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Trichomonas vaginalis 3-hydroxyisobutyrate dehydrogenase, putative 0.0184 1 1
Chlamydia trachomatis 6-phosphogluconate dehydrogenase 0.0184 1 1
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase Gnd1 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1236 0.1236
Giardia lamblia 6-phosphogluconate dehydrogenase, decarboxylating 0.0184 1 1
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0184 1 1
Echinococcus granulosus 6 phosphogluconate dehydrogenase 0.0184 1 1
Leishmania major 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0184 1 1
Loa Loa (eye worm) phosphoglucose isomerase 0.0045 0.1236 0.1236
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0184 1 1
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0184 1 1
Entamoeba histolytica glucose-6-phosphate isomerase, putative 0.0045 0.1236 0.5
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0184 1 1

Activities

Activity type Activity value Assay description Source Reference
LD50 (ADMET) = 562 mg kg-1 Lethal dose of compound was determined in mice by standard multidimentional observational assay ChEMBL. 7057417
LD50 (ADMET) = 562 mg kg-1 Lethal dose of compound was determined in mice by standard multidimentional observational assay ChEMBL. 7057417
Reduction (functional) = 0 % Percent reduction of edema was measured after oral administration at 200 mg/kg using carrageenan-induced pedal edema assay ChEMBL. 7057417

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.

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