Detailed information for compound 1577280

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.372 | Formula: C19H19N3O3
  • H donors: 1 H acceptors: 1 LogP: 2.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CC1C2=NN(C1c1ccccc1)C(=O)N
  • InChi: 1S/C19H19N3O3/c1-24-15-9-12-8-14-17(13(12)10-16(15)25-2)21-22(19(20)23)18(14)11-6-4-3-5-7-11/h3-7,9-10,14,18H,8H2,1-2H3,(H2,20,23)
  • InChiKey: IWFRVCZDVSOEIR-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
Echinococcus granulosus adenosylhomocysteinase 0.1126 1 0.5
Leishmania major S-adenosylhomocysteine hydrolase 0.1126 1 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1126 1 0.5
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.1126 1 0.5
Plasmodium falciparum adenosylhomocysteinase 0.1126 1 0.5
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.1126 1 0.5
Loa Loa (eye worm) adenosylhomocysteinase 0.1126 1 0.5
Schistosoma mansoni adenosylhomocysteinase 0.1126 1 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.1126 1 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1126 1 1
Echinococcus multilocularis adenosylhomocysteinase 0.1126 1 0.5
Entamoeba histolytica adenosylhomocysteinase, putative 0.1126 1 0.5
Toxoplasma gondii adenosylhomocysteinase, putative 0.1126 1 0.5
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.1126 1 0.5
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.1126 1 0.5
Trichomonas vaginalis adenosylhomocysteinase, putative 0.1126 1 1
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.1126 1 0.5
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.1126 1 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 259.28 uM Cytotoxicity against mock-infected human MT4 cells assessed as decrease in cell viability by MTT assay ChEMBL. 23099090
MBC (functional) > 512 ug ml-1 Antimicrobial activity against Escherichia coli NCIM 5051 by broth dilution technique ChEMBL. 23099090
MFC (functional) > 512 ug ml-1 Antimicrobial activity against Candida albicans NCIM 3471 by broth dilution technique ChEMBL. 23099090
MIC (functional) > 11.83 uM Antitubercular activity against multidrug-resistant Mycobacterium tuberculosis by two fold serial dilution method ChEMBL. 21978838

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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