Detailed information for compound 164071

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.386 | Formula: C17H25NO2
  • H donors: 2 H acceptors: 2 LogP: 2.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](CN1CC[C@]2([C@@H]([C@H]1Cc1c2cc(cc1)O)C)C)O
  • InChi: 1S/C17H25NO2/c1-11(19)10-18-7-6-17(3)12(2)16(18)8-13-4-5-14(20)9-15(13)17/h4-5,9,11-12,16,19-20H,6-8,10H2,1-3H3/t11-,12-,16-,17+/m1/s1
  • InChiKey: PNVHOXOJDAMHJP-SKNMWMDOSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References

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 semaphorin 5B 0.0246 0.307 0.2956
Schistosoma mansoni semaphorin 5-related 0.0246 0.307 0.368
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Schistosoma mansoni plexin 0.0342 0.4558 0.5464
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Schistosoma mansoni plexin 0.0588 0.8342 1
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.0944 0.0795
Loa Loa (eye worm) hypothetical protein 0.0064 0.0269 0.0109
Echinococcus granulosus roundabout 2 0.0069 0.0353 0.0194
Loa Loa (eye worm) hypothetical protein 0.0108 0.0944 0.0795
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Onchocerca volvulus 0.0588 0.8342 1
Echinococcus granulosus semaphorin 5B 0.0246 0.307 0.2956
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0057 0.0162 0.0194
Echinococcus multilocularis plexin a4 0.0696 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0256 0.3226 0.3115
Entamoeba histolytica tyrosin kinase, putative 0.0142 0.1467 1
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Echinococcus granulosus transcription factor collier 0.0108 0.0944 0.0795
Brugia malayi DNA-binding protein LAG-1 0.0108 0.0944 0.0795
Loa Loa (eye worm) hypothetical protein 0.0108 0.0944 0.0795
Echinococcus multilocularis hypothetical protein 0.0246 0.307 0.2956
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0667 0.9548 0.954
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Brugia malayi hypothetical protein 0.0246 0.307 0.2956
Schistosoma mansoni cell adhesion molecule 0.0064 0.0269 0.0322
Echinococcus multilocularis exocyst complex component 2 0.0108 0.0944 0.0795
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0057 0.0162 0.0194
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0108 0.0944 0.5
Onchocerca volvulus 0.0246 0.307 0.2038
Loa Loa (eye worm) plexin A 0.0696 1 1
Brugia malayi Probable exocyst complex component Sec5 0.0108 0.0944 0.0795
Loa Loa (eye worm) hypothetical protein 0.0588 0.8342 0.8315
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0108 0.0944 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0353 0.0194
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0108 0.0944 0.5
Schistosoma mansoni hypothetical protein 0.0108 0.0944 0.1132
Loa Loa (eye worm) sema domain-containing protein 0.0246 0.307 0.2956
Echinococcus granulosus twitchin 0.0062 0.0246 0.0085
Echinococcus multilocularis neuroglian 0.0062 0.0246 0.0085
Schistosoma mansoni hypothetical protein 0.0108 0.0944 0.1132
Brugia malayi Immunoglobulin I-set domain containing protein 0.0256 0.3226 0.3115
Loa Loa (eye worm) sema domain-containing protein 0.0246 0.307 0.2956
Onchocerca volvulus Tyrosine kinase homolog 0.0198 0.2328 0.0916
Entamoeba histolytica protein kinase domain containing protein 0.0142 0.1467 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0353 0.0194
Schistosoma mansoni fibrocystin l 0.0108 0.0944 0.1132
Echinococcus multilocularis roundabout 2 0.0069 0.0353 0.0194
Brugia malayi IPT/TIG domain containing protein 0.0108 0.0944 0.0795
Brugia malayi hypothetical protein 0.0246 0.307 0.2956
Echinococcus granulosus plexin a4 0.0696 1 1
Brugia malayi Sema domain containing protein 0.0246 0.307 0.2956
Loa Loa (eye worm) hypothetical protein 0.0342 0.4558 0.4469
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Schistosoma mansoni nephrin 0.0062 0.0246 0.0294
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0944 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.0944 0.0795
Schistosoma mansoni hypothetical protein 0.0342 0.4558 0.5464
Echinococcus granulosus exocyst complex component 2 0.0108 0.0944 0.0795
Schistosoma mansoni hypothetical protein 0.0246 0.307 0.368
Schistosoma mansoni vesicular amine transporter 0.0057 0.0162 0.0194
Loa Loa (eye worm) hypothetical protein 0.0246 0.307 0.2956
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0108 0.0944 0.5
Schistosoma mansoni hypothetical protein 0.0246 0.307 0.368
Brugia malayi Sema domain containing protein 0.0246 0.307 0.2956
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0108 0.0944 0.5
Echinococcus granulosus semaphorin 1A 0.0246 0.307 0.2956
Echinococcus granulosus neuroglian 0.0062 0.0246 0.0085
Echinococcus multilocularis transcription factor collier 0.0108 0.0944 0.0795
Brugia malayi Plexin repeat family protein 0.0588 0.8342 0.8315
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0064 0.0269 0.0109

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 425 nM l-1 Inhibition of [3H]-MK-801 binding to N-methyl-D-aspartate glutamate receptor in rat brain cortical membranes. ChEMBL. 9288174
Ki (binding) = 425 nM l-1 Inhibition of [3H]-MK-801 binding to N-methyl-D-aspartate glutamate receptor in rat brain cortical membranes. ChEMBL. 9288174

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.

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