Detailed information for compound 1035480

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.65 | Formula: C24H30N4O3S2
  • H donors: 2 H acceptors: 3 LogP: 2.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1c1ccc(s1)S(=O)(=O)NCc1cccnc1)CNC1CCN(CC1)C
  • InChi: 1S/C24H30N4O3S2/c1-28-12-9-20(10-13-28)26-16-18-5-6-22(31-2)21(14-18)23-7-8-24(32-23)33(29,30)27-17-19-4-3-11-25-15-19/h3-8,11,14-15,20,26-27H,9-10,12-13,16-17H2,1-2H3
  • InChiKey: RYYIRJIDQCBWBF-UHFFFAOYSA-N  


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
Schistosoma mansoni DNA polymerase eta 0.0075 0.5046 0.4936
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0045 0.0217 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0075 0.5046 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 1 1
Leishmania major DNA polymerase kappa, putative 0.0045 0.0217 0.043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0217 0.043
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0217 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0217 0.043
Brugia malayi ImpB/MucB/SamB family protein 0.0075 0.5046 0.4936
Giardia lamblia DINP protein human, muc B family 0.0045 0.0217 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0217 0.043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0217 0.043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0045 0.0217 0.043
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0217 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.5046 0.4936
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 1 1
Echinococcus granulosus dna polymerase eta 0.0075 0.5046 0.4936
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0217 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0217 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0075 0.5046 1
Leishmania major DNA polymerase eta, putative 0.0075 0.5046 1
Echinococcus multilocularis dna polymerase eta 0.0075 0.5046 0.4936
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0217 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0045 0.0217 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0106 1 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.

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