Detailed information for compound 1467261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 551.636 | Formula: C32H33N5O4
  • H donors: 2 H acceptors: 2 LogP: 3.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1o2)c1cccc2c1[nH]c(cc2=O)N1CCOCC1
  • InChi: 1S/C32H33N5O4/c1-35-11-13-36(14-12-35)20-29(39)33-25-10-9-22(32-30(25)24-5-2-3-8-27(24)41-32)21-6-4-7-23-26(38)19-28(34-31(21)23)37-15-17-40-18-16-37/h2-10,19H,11-18,20H2,1H3,(H,33,39)(H,34,38)
  • InChiKey: ILTYKXNFGFMORV-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
Toxoplasma gondii pyridoxal-phosphate dependent superfamily protein 0.014 0.5 0.5
Schistosoma mansoni cysteine synthase 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase, putative 0.014 0.5 0.5
Trypanosoma cruzi serine sulfhydrylase 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Mycobacterium ulcerans cystathionine beta-synthase 0.014 0.5 0.5
Mycobacterium ulcerans cysteine synthase a CysK1 0.014 0.5 0.5
Trypanosoma cruzi serine sulfhydrylase 0.014 0.5 0.5
Mycobacterium tuberculosis Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) 0.014 0.5 0.5
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.014 0.5 0.5
Trypanosoma cruzi serine sulfhydrylase 0.014 0.5 0.5
Leishmania major cystathionine beta-synthase 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase, putative 0.014 0.5 0.5
Mycobacterium ulcerans cysteine synthase B 0.014 0.5 0.5
Trypanosoma cruzi serine sulfhydrylase 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase 0.014 0.5 0.5
Trichomonas vaginalis threonine synthase, putative 0.014 0.5 0.5
Entamoeba histolytica cysteine synthase A, putative 0.014 0.5 0.5
Brugia malayi cbs-prov protein 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Trypanosoma cruzi cysteine synthase, putative 0.014 0.5 0.5
Schistosoma mansoni cysteine synthase 0.014 0.5 0.5
Trypanosoma cruzi cysteine synthase, putative 0.014 0.5 0.5
Entamoeba histolytica cysteine synthase A, putative 0.014 0.5 0.5
Trichomonas vaginalis threonine synthase, putative 0.014 0.5 0.5
Entamoeba histolytica cysteine synthase A, putative 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Loa Loa (eye worm) cbs-prov protein 0.014 0.5 0.5
Trypanosoma brucei cystathionine beta-synthase, putative 0.014 0.5 0.5
Trichomonas vaginalis cysteine synthase, putative 0.014 0.5 0.5
Mycobacterium tuberculosis Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B) 0.014 0.5 0.5
Toxoplasma gondii CBS family protein 0.014 0.5 0.5
Mycobacterium leprae PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A) 0.014 0.5 0.5
Leishmania major cysteine synthase 0.014 0.5 0.5
Trypanosoma cruzi cystathionine beta-synthase, putative 0.014 0.5 0.5

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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