Detailed information for compound 2069524

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.427 | Formula: C15H22N4S
  • H donors: 0 H acceptors: 2 LogP: 2.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1scc(n1)CN1CCCC1c1cnn(c1)C
  • InChi: 1S/C15H22N4S/c1-3-5-15-17-13(11-20-15)10-19-7-4-6-14(19)12-8-16-18(2)9-12/h8-9,11,14H,3-7,10H2,1-2H3
  • InChiKey: AUDBRTZDFXTZRP-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 rab geranylgeranyl transferase alpha subunit 0.0015 0.0781 0.0781
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.1961 0.128
Entamoeba histolytica hypothetical protein 0.0037 0.4628 0.4172
Entamoeba histolytica hypothetical protein 0.0037 0.4628 0.4172
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.5538 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.4628 0.4628
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.1961 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0781 0.0781
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1158 0.0408
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 1 1
Echinococcus granulosus dna polymerase eta 0.0015 0.0781 0.0781
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1158 0.0408
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1158 0.0408
Entamoeba histolytica hypothetical protein 0.0037 0.4628 0.4172
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.5538 0.516
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 1 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.4628 0.4628
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.0176 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.5538 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0781 0.0781
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0781 0.0781
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Echinococcus granulosus transcription factor Dp 1 0.004 0.5027 0.5027
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3752 0.3223
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.5538 0.516
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1961 0.128
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 1 1
Brugia malayi hypothetical protein 0.0037 0.4628 0.4628
Brugia malayi polk-prov protein 0.0032 0.3752 0.3752
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.5538 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.5538 0.516
Leishmania major DNA polymerase kappa, putative 0.0022 0.1961 0.128
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0781 0.0781
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0781 0.0781
Schistosoma mansoni DNA polymerase eta 0.0015 0.0781 0.0781
Trypanosoma brucei unspecified product 0.0036 0.4358 0.3879
Loa Loa (eye worm) hypothetical protein 0.0015 0.0781 0.0781
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.5538 0.516
Echinococcus granulosus dna polymerase kappa 0.0043 0.5538 0.5538
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Echinococcus multilocularis dna polymerase eta 0.0015 0.0781 0.0781
Schistosoma mansoni hypothetical protein 0.0054 0.7443 0.7443
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.5538 0.516
Onchocerca volvulus 0.001 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.5538 0.516
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.4628 0.4628
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.4358 0.3879
Echinococcus multilocularis dna polymerase kappa 0.0043 0.5538 0.5538
Giardia lamblia DINP protein human, muc B family 0.0022 0.1961 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3752 0.3223
Loa Loa (eye worm) hypothetical protein 0.0032 0.3752 0.3752
Entamoeba histolytica hypothetical protein 0.0037 0.4628 0.4172
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.5538 0.516
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.5538 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.4628 0.4628
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0781 0.0781
Echinococcus multilocularis transcription factor Dp 1 0.004 0.5027 0.5027

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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