Detailed information for compound 904847

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.54 | Formula: C24H26N2O3S
  • H donors: 0 H acceptors: 2 LogP: 4.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OCc1cccs1)CN(C(=O)c1ccccn1)C1CCCC1
  • InChi: 1S/C24H26N2O3S/c1-28-22-12-11-18(15-23(22)29-17-20-9-6-14-30-20)16-26(19-7-2-3-8-19)24(27)21-10-4-5-13-25-21/h4-6,9-15,19H,2-3,7-8,16-17H2,1H3
  • InChiKey: RQPYUJJZBQKFGG-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
Loa Loa (eye worm) hypothetical protein 0.0231 1 1
Echinococcus multilocularis geminin 0.0165 0.6506 0.6295
Plasmodium falciparum carbonic anhydrase 0.0054 0.057 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0054 0.057 0.039
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0077 0.1789 0.1293
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.1789 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.3376 0.2975
Leishmania major carbonic anhydrase-like protein 0.0054 0.057 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.014 0.5165 0.7877
Schistosoma mansoni carbonic anhydrase 0.0054 0.057 0.0606
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.014 0.5165 0.4873
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.057 0.0606
Echinococcus granulosus geminin 0.0165 0.6506 0.6506
Echinococcus granulosus carbonic anhydrase 0.0054 0.057 0.057
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.057 0.0606
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.057 0.039
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.057 0.039
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0067 0.1233 0.1656
Echinococcus granulosus survival motor neuron protein 1 0.0231 1 1
Echinococcus granulosus carbonic anhydrase II 0.0054 0.057 0.057
Echinococcus granulosus carbonic anhydrase 0.0054 0.057 0.057
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.014 0.5165 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0077 0.1789 0.2535
Brugia malayi WGR domain containing protein 0.014 0.5165 0.5073
Echinococcus multilocularis survival motor neuron protein 1 0.0231 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.6506 1
Schistosoma mansoni hypothetical protein 0.0054 0.057 0.0606
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.057 0.039
Trypanosoma brucei poly(adp-ribose) polymerase 0.0077 0.1789 1
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.057 0.0606
Echinococcus granulosus poly ADP ribose polymerase 1 0.014 0.5165 0.5165
Onchocerca volvulus 0.0047 0.0187 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.057 0.039
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.1789 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0055 0.0625 0.0059
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.057 0.0606
Echinococcus granulosus poly adp ribose polymerase 2 0.0077 0.1789 0.1789
Loa Loa (eye worm) hypothetical protein 0.0077 0.1789 0.1293
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.057 0.039
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0146 0.5458 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.057 0.0606
Echinococcus granulosus carbonic anhydrase 0.0054 0.057 0.057
Brugia malayi WGR domain containing protein 0.0077 0.1789 0.1632
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.057 0.039
Schistosoma mansoni hypothetical protein 0.0165 0.6506 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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