Detailed information for compound 422327

Basic information

Technical information
  • TDR Targets ID: 422327
  • Name: 4-(1-adamantyl)-N-[(E)-anthracen-9-ylmethylid eneamino]quinoline-2-carboxamide
  • MW: 509.64 | Formula: C35H31N3O
  • H donors: 1 H acceptors: 2 LogP: 9.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1nc2ccccc2c(c1)C12CC3CC(C2)CC(C1)C3)N/N=C/c1c2ccccc2cc2c1cccc2
  • InChi: 1S/C35H31N3O/c39-34(38-36-21-30-27-9-3-1-7-25(27)16-26-8-2-4-10-28(26)30)33-17-31(29-11-5-6-12-32(29)37-33)35-18-22-13-23(19-35)15-24(14-22)20-35/h1-12,16-17,21-24H,13-15,18-20H2,(H,38,39)/b36-21+
  • InChiKey: IJXRWFOIJGUZOA-QLQYKETESA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-adamantyl)-N-[(E)-9-anthrylmethyleneamino]quinoline-2-carboxamide
  • 4-(1-adamantyl)-N-[(E)-9-anthrylmethyleneamino]-2-quinolinecarboxamide
  • 4-(1-adamantyl)-N-[(E)-9-anthrylmethyleneamino]quinaldamide
  • 4-(1-adamantyl)-N-(anthracen-9-ylmethylideneamino)quinoline-2-carboxamide
  • 4-(1-adamantyl)-N-(9-anthrylmethyleneamino)quinoline-2-carboxamide
  • 4-(1-adamantyl)-N-(9-anthrylmethyleneamino)-2-quinolinecarboxamide
  • 4-(1-adamantyl)-N-(9-anthrylmethyleneamino)quinaldamide
  • 2-Quinolinecarboxylic acid, 4-tricyclo[3.3.1.1~3,7~]dec-1-yl-, [(1E)-9-anthracenylmethylene]hydrazide
  • 4-Adamantin-1-yl-quinoline-2-carboxylic acid anthracin-9-yl methylene hydrazide
  • AIDS-196924
  • AIDS196924

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
Echinococcus granulosus eukaryotic initiation factor 4A 0.0634 0.377 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0634 0.377 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0333692 0 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0634 0.377 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0333692 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.105463 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0634 0.377 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0634 0.377 0.5
Schistosoma mansoni hypothetical protein 0.0720939 0.537143 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0634 0.377 0.5
Loa Loa (eye worm) hypothetical protein 0.0634 0.377 0.377
Loa Loa (eye worm) hypothetical protein 0.1105 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0634 0.377 0.7019
Brugia malayi Calcitonin receptor-like protein seb-1 0.1105 1 1
Plasmodium vivax RNA helicase-1, putative 0.0634 0.377 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0634 0.377 0.5
Loa Loa (eye worm) hypothetical protein 0.0720939 0.537143 0.537143
Schistosoma mansoni hypothetical protein 0.0755 0.5371 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0634 0.377 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.105463 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1105 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0634 0.377 0.5
Loa Loa (eye worm) hypothetical protein 0.105463 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.105463 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0634 0.377 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0333692 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0755 0.5371 0.5371
Echinococcus granulosus GPCR family 2 0.0333692 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0333692 0 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0634 0.377 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0333692 0 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0634 0.377 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0634 0.377 0.377
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0634 0.377 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0634 0.377 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0634 0.377 1
Loa Loa (eye worm) hypothetical protein 0.0755 0.5371 0.5371
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0634 0.377 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0720939 0.537143 0.537143
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0634 0.377 0.7019
Treponema pallidum ATP-dependent RNA helicase 0.0634 0.377 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0634 0.377 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0634 0.377 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -5.2 Antimycobacterial activity against drug-sensitive Mycobacterium tuberculosis H37Rv by microplate alamar blue assay ChEMBL. 17107805
Inhibition (functional) = 66 % Antimycobacterial activity against drug-sensitive Mycobacterium tuberculosis H37Rv at 6.250 ug/mL relative to isoniazid by microplate alamar blue assay ChEMBL. 17107805
Inhibition (functional) = 66 % Antimycobacterial activity against drug-sensitive Mycobacterium tuberculosis H37Rv at 6.250 ug/mL relative to isoniazid by microplate alamar blue assay ChEMBL. 17107805
Log IC50 (functional) = 5.2 Antimycobacterial activity against drug-sensitive Mycobacterium tuberculosis H37Rv by microplate alamar blue assay ChEMBL. 17107805

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mycobacterium tuberculosis ChEMBL23 17107805

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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