Detailed information for compound 1052071

Basic information

Technical information
  • TDR Targets ID: 1052071
  • Name: [[6,8-di(phenyl)-7-azabicyclo[3.3.1]nonan-9-y lidene]amino]thiourea
  • MW: 364.507 | Formula: C21H24N4S
  • H donors: 3 H acceptors: 0 LogP: 3.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)N/N=C/1\C2CCCC1C(NC2c1ccccc1)c1ccccc1
  • InChi: 1S/C21H24N4S/c22-21(26)25-24-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)23-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-19,23H,7,12-13H2,(H3,22,25,26)
  • InChiKey: FZBXSVPFDCIYND-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0431 0.0431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0431 0.1045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0431 0.1045
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2021 0.2021
Loa Loa (eye worm) hypothetical protein 0.0101 0.2021 0.2021
Echinococcus granulosus geminin 0.0174 0.4128 1
Echinococcus multilocularis geminin 0.0174 0.4128 1
Brugia malayi hypothetical protein 0.031 0.8095 0.8095
Onchocerca volvulus TPPP family protein homolog 0.0375 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0431 0.1045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0431 0.1045
Loa Loa (eye worm) hypothetical protein 0.0069 0.1086 0.1086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2021 0.2021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0431 0.1045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0431 0.1045
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2021 0.2021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0431 0.0431
Schistosoma mansoni hypothetical protein 0.0174 0.4128 1
Schistosoma mansoni hypothetical protein 0.0174 0.4128 1
Loa Loa (eye worm) p25-alpha family protein 0.0375 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0431 0.1045
Loa Loa (eye worm) hypothetical protein 0.031 0.8095 0.8095
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1086 0.1086
Schistosoma mansoni hypothetical protein 0.0069 0.1086 0.263

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25835 after 24 hrs by twofold serial dilution method ChEMBL. 19361987
MIC (functional) = 100 ug ml-1 Antifungal activity against Cryptococcus neoformans ATCC 3312 after 72 to 96 hrs by twofold serial dilution method ChEMBL. 19361987
MIC (functional) = 200 ug ml-1 Antifungal activity against Candida albicans ATCC 3122 by twofold serial dilution method ChEMBL. 19361987

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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