Detailed information for compound 1146764

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.795 | Formula: C18H18ClNO
  • H donors: 1 H acceptors: 1 LogP: 4.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)c[n+](cc2)CCc1ccccc1C.[Cl-]
  • InChi: 1S/C18H17NO.ClH/c1-14-4-2-3-5-15(14)8-10-19-11-9-16-6-7-18(20)12-17(16)13-19;/h2-7,9,11-13H,8,10H2,1H3;1H
  • InChiKey: UXPJRQQTTQJWPH-UHFFFAOYSA-N  

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
Schistosoma mansoni bromodomain containing protein 0.0071 0.3552 0.5375
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0112 0.6608 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.4172 0.6437
Echinococcus multilocularis sterol regulatory element binding protein 0.0047 0.18 0.1668
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.18 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.1674 0.2583
Echinococcus multilocularis Niemann Pick C1 protein 0.011 0.6481 0.6424
Echinococcus granulosus sterol regulatory element binding protein 0.0047 0.18 0.1668
Loa Loa (eye worm) hypothetical protein 0.0043 0.1477 0.2279
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.011 0.6481 0.5
Echinococcus multilocularis expressed conserved protein 0.0104 0.5984 0.5919
Echinococcus multilocularis protein dispatched 1 0.0054 0.2298 0.2173
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.1274 0.1133
Loa Loa (eye worm) hypothetical protein 0.0047 0.18 0.2778
Loa Loa (eye worm) hypothetical protein 0.0048 0.1833 0.2829
Echinococcus multilocularis protein patched 0.0047 0.18 0.1668
Brugia malayi Bromodomain containing protein 0.0043 0.1471 0.1821
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0047 0.18 0.2778
Schistosoma mansoni patched 1 0.0047 0.18 0.2724
Echinococcus granulosus expressed conserved protein 0.0104 0.5984 0.5919
Loa Loa (eye worm) hypothetical protein 0.011 0.6481 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.2592 0.3999
Echinococcus granulosus Niemann Pick C1 protein 0.011 0.6481 0.6424
Echinococcus multilocularis Niemann Pick C1 protein 0.0158 1 1
Brugia malayi CHE-14 protein 0.0047 0.18 0.2358
Schistosoma mansoni hypothetical protein 0.0046 0.1673 0.2532
Echinococcus granulosus Protein patched homolog 1 0.0047 0.18 0.1668
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.3254 0.3145
Brugia malayi Bromodomain containing protein 0.0084 0.4528 0.6811
Schistosoma mansoni hypothetical protein 0.0046 0.1673 0.2532
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.3254 0.3145
Schistosoma mansoni hypothetical protein 0.0046 0.1673 0.2532
Brugia malayi Niemann-Pick C1 protein precursor 0.011 0.6481 1
Schistosoma mansoni hypothetical protein 0.0046 0.1673 0.2532
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0159 0.0241
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.1274 0.1133

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.