Detailed information for compound 1117662

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.4 | Formula: C20H21N3O
  • H donors: 2 H acceptors: 2 LogP: 3.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: On1ncc(c1c1cccc(c1)c1ccccc1)C1CCNCC1
  • InChi: 1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
  • InChiKey: UHEYIOPHTBWBQN-UHFFFAOYSA-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
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0163 0.0986 0.0986
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Schistosoma mansoni hypothetical protein 0.0343 0.2316 0.2316
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0163 0.0986 0.0986
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0 0.5
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0578 0.4052 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.1983 0.5
Schistosoma mansoni ets-related 0.0221 0.1412 0.1412
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.1687
Schistosoma mansoni gabp alpha 0.0073 0.0316 0.0316
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0163 0.0986 0.0986
Onchocerca volvulus 0.0238 0.1538 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0578 0.4052 0.5
Brugia malayi Ets-domain containing protein 0.0073 0.0316 0.224
Echinococcus multilocularis microtubule associated protein 2 0.1383 1 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.0316 0.224
Brugia malayi Pip kinase protein 2 0.0163 0.0986 0.6984
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0578 0.4052 1
Treponema pallidum hypothetical protein 0.0578 0.4052 1
Schistosoma mansoni microtubule-associated protein tau 0.1383 1 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0578 0.4052 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.1325 0.9382
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.0316 0.0316
Giardia lamblia Fructose-bisphosphate aldolase 0.0298 0.1983 0.5
Echinococcus granulosus geminin 0.0343 0.2316 0.2316
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Brugia malayi Fli-1 protein 0.0221 0.1412 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0578 0.4052 1
Loa Loa (eye worm) fli-1 protein 0.0221 0.1412 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0298 0.1983 0.5
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0163 0.0986 0.0986
Loa Loa (eye worm) pip kinase 2 0.0163 0.0986 0.6984
Echinococcus multilocularis geminin 0.0343 0.2316 0.2316
Loa Loa (eye worm) hypothetical protein 0.0163 0.0986 0.6984
Onchocerca volvulus 0.0163 0.0986 0.641
Brugia malayi Ets-domain containing protein 0.0073 0.0316 0.224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0298 0.1983 1
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0343 0.2316 0.2316
Brugia malayi Pre-SET motif family protein 0.0209 0.1325 0.9382

Activities

No activities found for this compound.

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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