Detailed information for compound 1864647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.917 | Formula: C22H28ClNO
  • H donors: 1 H acceptors: 1 LogP: 6.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(CC(c1cc2ccccc2c2c1cccc2)O)CCC.Cl
  • InChi: 1S/C22H27NO.ClH/c1-3-13-23(14-4-2)16-22(24)21-15-17-9-5-6-10-18(17)19-11-7-8-12-20(19)21;/h5-12,15,22,24H,3-4,13-14,16H2,1-2H3;1H
  • InChiKey: UTYWLRGEGSHZIL-UHFFFAOYSA-N  

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.2824 0.2122
Mycobacterium ulcerans DNA polymerase IV 0.0045 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.4141 1
Mycobacterium ulcerans DNA polymerase IV 0.0045 1 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.4141 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Echinococcus multilocularis dna polymerase eta 0.0016 0.2208 0.2208
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.8067 0.7878
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0016 0.2208 0.312
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4141 0.3568
Trypanosoma brucei DNA polymerase IV, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0016 0.2208 0.2208
Brugia malayi polk-prov protein 0.0034 0.7075 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.2208 0.312
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.2824 0.2122
Brugia malayi ImpB/MucB/SamB family protein 0.0016 0.2208 0.312
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0016 0.2208 0.2208
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0008 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0016 0.2208 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.7075 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.4141 1
Trypanosoma brucei unspecified product 0.0038 0.8067 0.7878
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.4141 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0016 0.2208 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0016 0.2208 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.7075 0.6789
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.2824 0.2122
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Echinococcus granulosus dna polymerase eta 0.0016 0.2208 0.2208
Echinococcus multilocularis dna polymerase kappa 0.0045 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0016 0.2208 0.1445
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0012 0.1216 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.7075 0.6789
Onchocerca volvulus 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.2208 0.312
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0 0.5
Schistosoma mansoni DNA polymerase eta 0.0016 0.2208 1

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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