Detailed information for compound 1462674

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.287 | Formula: C14H15N3O3
  • H donors: 2 H acceptors: 3 LogP: 1.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NN1C(=O)NC2(C1=O)CC2(C)C
  • InChi: 1S/C14H15N3O3/c1-13(2)8-14(13)11(19)17(12(20)15-14)16-10(18)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,20)(H,16,18)
  • InChiKey: MANUTYSYOFPZKE-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
Echinococcus multilocularis geminin 0.0171 0.0826 0.0651
Loa Loa (eye worm) hypothetical protein 0.0275 0.2224 0.2243
Brugia malayi NNMT/PNMT/TEMT family protein 0.0275 0.2224 0.2243
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0228 0.1589 1
Echinococcus granulosus geminin 0.0171 0.0826 0.0651
Trypanosoma brucei glucosidase, putative 0.0123 0.0187 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0123 0.0187 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0161 1
Brugia malayi hypothetical protein 0.0151 0.0563 0.0413
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0804 0.9269 1
Brugia malayi Alpha-L-fucosidase family protein 0.0519 0.5474 0.5821
Onchocerca volvulus 0.0214 0.1407 0.1237
Schistosoma mansoni alpha-glucosidase 0.0776 0.8897 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0228 0.1589 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0161 1
Onchocerca volvulus 0.0663 0.7388 1
Schistosoma mansoni hypothetical protein 0.0171 0.0826 0.0734
Schistosoma mansoni hypothetical protein 0.0171 0.0826 0.0734
Loa Loa (eye worm) hypothetical protein 0.0275 0.2224 0.2243
Echinococcus granulosus lysosomal alpha glucosidase 0.0804 0.9269 0.9255
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0161 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0859 1 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0804 0.9269 0.9255
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0187 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0188 0.1061 0.0962
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0859 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0123 0.0187 0.5
Trichomonas vaginalis set domain proteins, putative 0.0214 0.1407 0.8701
Schistosoma mansoni alpha-l-fucosidase 0.0519 0.5474 0.607
Brugia malayi Glycosyl hydrolases family 31 protein 0.0804 0.9269 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0563 0.0413
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0187 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0123 0.0187 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0804 0.9269 0.9255
Brugia malayi Pre-SET motif family protein 0.0188 0.1061 0.0962
Schistosoma mansoni alpha-glucosidase 0.0776 0.8897 1
Loa Loa (eye worm) alpha-L-fucosidase 0.0519 0.5474 0.5821
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0123 0.0187 0.5
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0275 0.2224 0.2243
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0161 1

Activities

Activity type Activity value Assay description Source Reference
MED (functional) = 300 mg kg-1 Anticonvulsant activity in ip dosed mouse assessed as inhibition of maximum electric shock-induced hind limb tonic extension after 0.5 hrs ChEMBL. 20947222
MED (functional) = 300 mg kg-1 Anticonvulsant activity in ip dosed mouse assessed as inhibition of PTZ-induced clonic seizure after 0.5 hrs ChEMBL. 20947222
MED (ADMET) = 300 mg kg-1 Neurotoxicity against ip dosed mouse by rotarod test after 0.5 hrs ChEMBL. 20947222

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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