Detailed information for compound 1900310

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 177.286 | Formula: C12H19N
  • H donors: 1 H acceptors: 0 LogP: 2.6 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N1CC2C(C1)C1CCC2C2C1CC2
  • InChi: 1S/C12H19N/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12/h7-13H,1-6H2
  • InChiKey: DAVOOJTXJBDGEX-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
Schistosoma mansoni memapsin-2 (A01 family) 0.0514 0.1313 0.8597
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0044 0.0046 0.0177
Echinococcus granulosus tumor protein p63 0.0411 0.1035 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0061 0.0091 0.0809
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0108 0.0219 0.1431
Brugia malayi Calcitonin receptor-like protein seb-1 0.0061 0.0091 0.0809
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0039 0.035
Loa Loa (eye worm) hypothetical protein 0.012 0.025 0.1858
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0109 0.0223 0.1979
Loa Loa (eye worm) hypothetical protein 0.0061 0.0091 0.0676
Echinococcus multilocularis expressed conserved protein 0.0112 0.0231 0.0893
Loa Loa (eye worm) hypothetical protein 0.006 0.009 0.0667
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.1126 1
Mycobacterium tuberculosis Probable methyltransferase 0.0388 0.0973 0.1081
Schistosoma mansoni o-methyltransferase 0.0388 0.0973 0.6372
Echinococcus granulosus expressed conserved protein 0.0112 0.0231 0.223
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0109 0.0223 0.1459
Echinococcus multilocularis Niemann Pick C1 protein 0.0171 0.0389 0.1504
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.3349 0.8955 1
Brugia malayi hypothetical protein 0.0044 0.0046 0.0405
Onchocerca volvulus 0.006 0.009 0.0923
Loa Loa (eye worm) hypothetical protein 0.0109 0.0223 0.1654
Echinococcus granulosus Niemann Pick C1 protein 0.0171 0.0389 0.3757
Brugia malayi O-methyltransferase family protein 0.0388 0.0973 0.8641
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0066 0.5
Brugia malayi O-methyltransferase family protein 0.0388 0.0973 0.8641
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0388 0.0973 1
Brugia malayi Niemann-Pick C1 protein precursor 0.012 0.025 0.2224
Schistosoma mansoni amine GPCR 0.0227 0.0539 0.3529
Schistosoma mansoni hypothetical protein 0.005 0.0061 0.0401
Echinococcus granulosus Niemann Pick C1 protein 0.012 0.025 0.2419
Echinococcus multilocularis protein patched 0.0051 0.0066 0.0256
Onchocerca volvulus 0.0029 0.0005 0.0056
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0066 0.0491
Schistosoma mansoni sodium/chloride dependent transporter 0.0109 0.0223 0.1459
Loa Loa (eye worm) hypothetical protein 0.0182 0.0417 0.3097
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0066 0.0639
Schistosoma mansoni cellular tumor antigen P53 0.006 0.009 0.0588
Onchocerca volvulus 0.0388 0.0973 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0005 0.004
Mycobacterium ulcerans methyltransferase 0.0388 0.0973 0.0968
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0005 0.0048
Schistosoma mansoni hypothetical protein 0.005 0.0061 0.0401
Echinococcus multilocularis tumor protein p63 0.0411 0.1035 0.4004
Schistosoma mansoni hypothetical protein 0.0041 0.0039 0.0258
Entamoeba histolytica hypothetical protein 0.0044 0.0046 0.1641
Brugia malayi Muscleblind-like protein 0.0182 0.0417 0.3706
Echinococcus granulosus serotonin transporter 0.0109 0.0223 0.2152
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0986 0.2586 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.1126 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0223 0.1654
Loa Loa (eye worm) hypothetical protein 0.0063 0.0097 0.0723
Loa Loa (eye worm) hypothetical protein 0.0527 0.1348 1
Schistosoma mansoni patched 1 0.0051 0.0066 0.0433
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.1126 0.5
Schistosoma mansoni o-methyltransferase 0.0388 0.0973 0.6372
Loa Loa (eye worm) hypothetical protein 0.0029 0.0005 0.004
Loa Loa (eye worm) solute carrier family 6 member 4 0.0109 0.0223 0.1654
Loa Loa (eye worm) hypothetical protein 0.0388 0.0973 0.7221
Onchocerca volvulus 0.0388 0.0973 1
Echinococcus multilocularis muscleblind protein 1 0.0182 0.0417 0.1614
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0044 0.0046 0.0441
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.012 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0527 0.1348 1
Entamoeba histolytica hypothetical protein 0.0044 0.0046 0.1641
Loa Loa (eye worm) hypothetical protein 0.0182 0.0417 0.3097
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0061 0.0091 0.0676
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0005 0.0048
Treponema pallidum sodium- and chloride- dependent transporter 0.0109 0.0223 0.5
Echinococcus multilocularis protein dispatched 1 0.0059 0.0086 0.0332
Schistosoma mansoni hypothetical protein 0.0044 0.0046 0.0299
Loa Loa (eye worm) hypothetical protein 0.0227 0.054 0.4009
Brugia malayi O-methyltransferase 0.0388 0.0973 0.8641
Echinococcus granulosus muscleblind protein 0.0182 0.0417 0.4031
Entamoeba histolytica hypothetical protein 0.0044 0.0046 0.1641
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.0594 0.1527 1
Echinococcus multilocularis Niemann Pick C1 protein 0.012 0.025 0.0969
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0066 0.0256
Loa Loa (eye worm) O-methyltransferase 0.0388 0.0973 0.7221
Entamoeba histolytica hypothetical protein 0.0044 0.0046 0.1641
Brugia malayi CHE-14 protein 0.0051 0.0066 0.0588
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0122 0.0255 0.1672
Loa Loa (eye worm) hypothetical protein 0.0109 0.0223 0.1654
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0066 0.0639
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0388 0.0973 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.1126 0.5
Schistosoma mansoni hypothetical protein 0.005 0.0061 0.0401
Schistosoma mansoni o-methyltransferase 0.0388 0.0973 0.6372
Schistosoma mansoni transcription factor LCR-F1 0.0044 0.0046 0.0299
Loa Loa (eye worm) hypothetical protein 0.0029 0.0005 0.004
Loa Loa (eye worm) serotonin transporter b 0.0109 0.0223 0.1654
Schistosoma mansoni o-methyltransferase 0.0388 0.0973 0.6372
Loa Loa (eye worm) hypothetical protein 0.0445 0.1126 0.8357
Brugia malayi O-methyltransferase family protein 0.0388 0.0973 0.8641
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0005 0.0048
Loa Loa (eye worm) hypothetical protein 0.0041 0.0039 0.0293
Loa Loa (eye worm) norepinephrine transporter 0.0109 0.0223 0.1654
Schistosoma mansoni hypothetical protein 0.005 0.0061 0.0401
Echinococcus multilocularis muscleblind protein 0.0182 0.0417 0.1614
Echinococcus multilocularis serotonin transporter 0.0109 0.0223 0.0862
Onchocerca volvulus 0.0109 0.0223 0.229
Loa Loa (eye worm) hypothetical protein 0.0051 0.0066 0.0491

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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