Detailed information for compound 812478

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.564 | Formula: C28H31N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)c1cn(Cc2ccccc2)cc(c1=O)C(=O)N1CCCC(CC1)c1ccccc1
  • InChi: 1S/C28H31N3O3/c1-2-29-27(33)24-19-30(18-21-10-5-3-6-11-21)20-25(26(24)32)28(34)31-16-9-14-23(15-17-31)22-12-7-4-8-13-22/h3-8,10-13,19-20,23H,2,9,14-18H2,1H3,(H,29,33)
  • InChiKey: FTLPOIFHULTKDU-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
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.0244
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.0997 0.0997
Echinococcus multilocularis adenosylhomocysteinase 0.1994 1 1
Schistosoma mansoni adenosylhomocysteinase 0.1994 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.0244 0.0244
Schistosoma mansoni adenosylhomocysteinase 0.1234 0.6109 0.6109
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.0244 0.0244
Leishmania major S-adenosylhomocysteine hydrolase 0.1994 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.1124 0.1124
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.0244 0.0244
Schistosoma mansoni adenosylhomocysteinase 0.1234 0.6109 0.6109
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.5
Schistosoma mansoni adenosylhomocysteinase 0.1234 0.6109 0.6109
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.0088 0.0088
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1994 1 1
Brugia malayi Pre-SET motif family protein 0.0235 0.0997 0.0997
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.1994 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.5
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.1994 1 1
Onchocerca volvulus 0.0268 0.1163 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.0088 0.0088
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1994 1 1
Trichomonas vaginalis set domain proteins, putative 0.0268 0.1163 0.1163
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.0244
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1994 1 1
Entamoeba histolytica adenosylhomocysteinase, putative 0.1994 1 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0244 0.5
Brugia malayi Probable ClpP-like protease 0.0088 0.0244 0.0244
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.1994 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0244 0.0244
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.0244 0.0244
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.0088 0.0088
Toxoplasma gondii adenosylhomocysteinase, putative 0.1994 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.0088 0.0088
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.0244 0.0244
Schistosoma mansoni adenosylhomocysteinase 0.1234 0.6109 0.6109
Echinococcus granulosus adenosylhomocysteinase 0.1994 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.0088 0.0088
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.1994 1 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.1994 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1994 1 1
Loa Loa (eye worm) adenosylhomocysteinase 0.1994 1 1
Plasmodium falciparum adenosylhomocysteinase 0.1994 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0088 0.0244 0.0244
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.1994 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0626 0.2996 0.2996

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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