Detailed information for compound 272709

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.421 | Formula: C19H25N3O
  • H donors: 1 H acceptors: 1 LogP: 1.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C[C@@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)N
  • InChi: 1S/C19H25N3O/c1-11(2)22-10-12-8-17-15(7-13(19(20)23)9-21(17)3)14-5-4-6-16(22)18(12)14/h4-6,10-11,13,15,17H,7-9H2,1-3H3,(H2,20,23)/t13-,15-,17-/m1/s1
  • InChiKey: WJBAQLYSEMKWED-FRFSOERESA-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
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0294 0.0644
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0066 0.0144
Loa Loa (eye worm) hypothetical protein 0.0055 0.0223 0.1514
Plasmodium vivax telomerase reverse transcriptase, putative 0.0421 0.2631 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0066 0.0122
Loa Loa (eye worm) RNA binding protein 0.0066 0.0294 0.1995
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0066 0.0144
Brugia malayi hypothetical protein 0.0245 0.1476 0.2041
Schistosoma mansoni survival motor neuron protein 0.005 0.0191 0.0418
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0191 0.0264
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.1476 0.3228
Onchocerca volvulus 0.0031 0.0066 0.0066
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0109 0.0151
Giardia lamblia Telomerase catalytic subunit 0.0421 0.2631 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0716 0.4572 1
Echinococcus granulosus microtubule associated protein 2 0.0716 0.4572 1
Plasmodium falciparum telomerase reverse transcriptase 0.0421 0.2631 1
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.1476 0.3228
Leishmania major telomerase reverse transcriptase, putative 0.0421 0.2631 1
Onchocerca volvulus 0.005 0.0191 0.0191
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0294 0.1995
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0223 0.0309
Plasmodium vivax SET domain protein, putative 0.0031 0.0066 0.0122
Brugia malayi hypothetical protein 0.0026 0.0034 0.0047
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.1283 0.8689
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0294 0.0644
Trichomonas vaginalis set domain proteins, putative 0.0246 0.1479 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0421 0.2631 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0294 0.0644
Echinococcus multilocularis microtubule associated protein 2 0.0716 0.4572 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0066 0.0091
Brugia malayi Telomerase reverse transcriptase 0.1121 0.7231 1
Brugia malayi RNA binding protein 0.0066 0.0294 0.0407
Trypanosoma brucei telomerase reverse transcriptase 0.0421 0.2631 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0446
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0294 0.0644
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0294 0.0407
Onchocerca volvulus 0.0055 0.0221 0.0221
Echinococcus granulosus tumor protein p63 0.0373 0.2312 0.5056
Loa Loa (eye worm) hypothetical protein 0.0038 0.0109 0.0739
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0066 0.0144
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0223 0.1514
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0066 0.0144
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0221 0.0482
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0066 0.0144
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0066 0.0144
Loa Loa (eye worm) hypothetical protein 0.0245 0.1476 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0421 0.2631 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.0294 0.0644
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0294 0.0644
Onchocerca volvulus 0.0246 0.1479 0.1479
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0058 0.0127
Schistosoma mansoni hypothetical protein 0.005 0.0191 0.0418
Loa Loa (eye worm) hypothetical protein 0.0026 0.0034 0.0231
Loa Loa (eye worm) hypothetical protein 0.0055 0.0221 0.1494
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0066 0.0144
Echinococcus multilocularis tumor protein p63 0.0373 0.2312 0.5056
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0223 0.0309
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0294 0.1995
Schistosoma mansoni hypothetical protein 0.0038 0.0109 0.0239
Brugia malayi TAR-binding protein 0.0066 0.0294 0.0407
Brugia malayi Pre-SET motif family protein 0.0216 0.1283 0.1774
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0294 0.0644
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0421 0.2631 1

Activities

Activity type Activity value Assay description Source Reference
-Log KB (functional) = 8.7 Antagonistic activity against (5-hydroxytryptamine 2 receptor) serotonin-induced contractions in the rat jugular vein ChEMBL. 2299630

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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