Detailed information for compound 1676388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.367 | Formula: C13H28NO2+
  • H donors: 1 H acceptors: 2 LogP: 2.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[N+](C(C)C)(C(C)C)CCCCC(=O)O
  • InChi: 1S/C13H27NO2/c1-6-14(11(2)3,12(4)5)10-8-7-9-13(15)16/h11-12H,6-10H2,1-5H3/p+1
  • InChiKey: UJXLKYANCKNHJU-UHFFFAOYSA-O  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis tar DNA binding protein 0.0071 0.0282 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.009 0.2714
Brugia malayi Heterochromatin protein 1 0.0078 0.0332 0.1753
Onchocerca volvulus 0.0087 0.0399 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0102 0.009
Brugia malayi RNA binding protein 0.0071 0.0282 0.1479
Loa Loa (eye worm) hypothetical protein 0.0056 0.0175 0.0895
Onchocerca volvulus 0.0087 0.0399 1
Brugia malayi Cache domain containing protein 0.0291 0.1839 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0143 0.0131
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0012 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0282 0.0639
Echinococcus multilocularis chromobox protein 1 0.0078 0.0332 0.0321
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0102 0.009
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0114 0.3419
Loa Loa (eye worm) hypothetical protein 0.0038 0.0051 0.0213
Echinococcus granulosus chromobox protein 1 0.0078 0.0332 0.0321
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.0536 0.0525
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0143 0.0131
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0282 0.1479
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0176 0.0901
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0282 0.1479
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.006 0.0049
Brugia malayi jmjC domain containing protein 0.0039 0.006 0.0265
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.009 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0282 0.0639
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0114 0.3419
Schistosoma mansoni jumonji domain containing protein 0.0085 0.0381 0.0873
Brugia malayi TAR-binding protein 0.0071 0.0282 0.1479
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0658 0.4429 0.4422
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0143 0.031
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.009 0.202
Loa Loa (eye worm) hypothetical protein 0.0087 0.0399 0.212
Schistosoma mansoni hypothetical protein 0.0038 0.0051 0.0092
Schistosoma mansoni chromobox protein 0.0078 0.0332 0.0757
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0063
Schistosoma mansoni serine-rich repeat protein 0.034 0.2182 0.5133
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0087 0.0399 0.0916
Loa Loa (eye worm) hypothetical protein 0.0291 0.1839 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0282 0.0639
Onchocerca volvulus 0.0034 0.0023 0.0298
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0114 0.2625
Schistosoma mansoni chromobox protein 0.0078 0.0332 0.0757
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0282 0.0639
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0087 0.0399 0.0916
Loa Loa (eye worm) hypothetical protein 0.0087 0.0399 0.212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0143 0.031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0143 0.031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0143 0.0131
Onchocerca volvulus 0.0087 0.0399 1
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0332 0.1753
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.009 0.2714
Loa Loa (eye worm) hypothetical protein 0.0081 0.0357 0.1887
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0257 0.1343
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0318 0.2029 0.4771
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0012 0.5
Giardia lamblia PHD finger protein 15 0.0033 0.0012 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0282 0.1479
Echinococcus granulosus chromobox protein 1 0.0078 0.0332 0.0321
Loa Loa (eye worm) RNA binding protein 0.0071 0.0282 0.1479
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0143 0.0718
Plasmodium falciparum phd finger protein, putative 0.0033 0.0012 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0143 0.0718
Brugia malayi Cation transporter family protein 0.0087 0.0399 0.212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.006 0.0115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0143 0.0131
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.0536 0.0525
Echinococcus granulosus tar DNA binding protein 0.0071 0.0282 0.0271
Brugia malayi jmjC domain containing protein 0.0107 0.0536 0.2869
Brugia malayi chromobox protein homolog 3 0.0044 0.009 0.0428
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0175 0.0895
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0051 0.0213
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.006 0.0049
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1447 1 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0631 0.4239 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0282 0.0639
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.006 0.0115
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.006 0.0265
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0175 0.0895
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0175 0.0895
Schistosoma mansoni hypothetical protein 0.034 0.2182 0.5133
Echinococcus granulosus voltage dependent calcium channel subunit 0.0658 0.4429 0.4422
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0012 0.5
Echinococcus multilocularis chromobox protein 1 0.0078 0.0332 0.0321

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.