Detailed information for compound 145677

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.401 | Formula: C17H18N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCc1nc(oc1C)C
  • InChi: 1S/C17H18N2O4S/c1-10-14(18-11(2)23-10)7-8-22-13-5-3-12(4-6-13)9-15-16(20)19-17(21)24-15/h3-6,15H,7-9H2,1-2H3,(H,19,20,21)
  • InChiKey: MGMAWAOSICNTKQ-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 electron transfer flavoprotein-ubiquinone oxidoreductase 0.0008 0 0.5
Plasmodium vivax unspecified product 0.0008 0 0.5
Mycobacterium leprae Probable UDP-galactopyranose mutase Glf (UDP-galp mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0008 0 0.5
Mycobacterium ulcerans monooxygenase EthA 0.0008 0 0.5
Brugia malayi all-trans-13,14-dihydroretinol saturase 0.0008 0 0.5
Mycobacterium leprae Probable monooxygenase EthA 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0008 0 0.5
Mycobacterium tuberculosis Cholesterol oxidase ChoD (cholesterol-O2 oxidoreductase) 0.0008 0 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0008 0 0.5
Mycobacterium tuberculosis Probable monooxygenase (hydroxylase) 0.0008 0 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.0008 0 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0008 0 0.5
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0008 0 0.5
Toxoplasma gondii prenylcysteine oxidase 0.0008 0 0.5
Echinococcus multilocularis prenylcysteine oxidase 0.0008 0 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0008 0 0.5
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0008 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0008 0 0.5
Toxoplasma gondii hypothetical protein 0.0008 0 0.5
Trypanosoma brucei squalene monooxygenase, putative 0.0571 1 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0008 0 0.5
Plasmodium vivax unspecified product 0.0008 0 0.5
Mycobacterium tuberculosis Monooxygenase EthA 0.0008 0 0.5
Plasmodium vivax adrenodoxin reductase, putative 0.0008 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0571 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0008 0 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0008 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0008 0 0.5
Plasmodium vivax unspecified product 0.0008 0 0.5
Schistosoma mansoni amine oxidase 0.0008 0 0.5
Mycobacterium ulcerans dehydrogenase 0.0008 0 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0008 0 0.5
Mycobacterium tuberculosis Unknown protein 0.0008 0 0.5
Mycobacterium tuberculosis Possible alanine rich dehydrogenase 0.0008 0 0.5
Mycobacterium ulcerans dehydrogenase 0.0008 0 0.5
Onchocerca volvulus 0.0008 0 0.5
Echinococcus granulosus prenylcysteine oxidase 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0 0.5
Onchocerca volvulus 0.0008 0 0.5
Loa Loa (eye worm) lethal protein 721 0.0008 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0571 1 1

Activities

Activity type Activity value Assay description Source Reference
ED25 (functional) = 2 mg kg-1 day-1 Effective dose to reduce 25% of glucose levels in blood ChEMBL. 1635060
ED25 (functional) = 2 mg kg-1 day-1 Effective dose to reduce 25% of glucose levels in blood ChEMBL. 1635060
ED25 (functional) = 3 mg kg-1 day-1 Effective dose to reduce 25% of triglyceride levels in plasma ChEMBL. 1635060
ED25 (functional) = 3 mg kg-1 day-1 Effective dose to reduce 25% of triglyceride levels in plasma ChEMBL. 1635060
Reduction (functional) = 10 % Maximum reduction in plasma triglyceride levels in KKA mice at a dosage of 0.001% in diet ChEMBL. 1635060
Reduction (functional) = 10 % Maximum reduction in plasma triglyceride levels in KKA mice at a dosage of 0.001% in diet ChEMBL. 1635060
Reduction (functional) = 27 % Maximum reduction in blood glucose levels in KKA mice at a dosage of 0.001% in diet ChEMBL. 1635060
Reduction (functional) = 27 % Maximum reduction in blood glucose levels in KKA mice at a dosage of 0.001% in diet ChEMBL. 1635060
Reduction (functional) = 55 % Maximum reduction in blood glucose levels in KKA mice at a dosage of 0.005% in diet ChEMBL. 1635060
Reduction (functional) = 55 % Maximum reduction in blood glucose levels in KKA mice at a dosage of 0.005% in diet ChEMBL. 1635060
Reduction (functional) = 56 % Maximum reduction in plasma triglyceride levels in KKA mice at a dosage of 0.005% in diet ChEMBL. 1635060
Reduction (functional) = 56 % Maximum reduction in plasma triglyceride levels in KKA mice at a dosage of 0.005% in diet ChEMBL. 1635060

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

1 literature reference was collected for this gene.

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