Detailed information for compound 1053747

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.437 | Formula: C19H18N4O2S
  • H donors: 2 H acceptors: 3 LogP: 3.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cccnc1Oc1ccc(cc1)SC)\NCc1cccnc1
  • InChi: 1S/C19H18N4O2S/c1-26-16-8-6-15(7-9-16)25-19-17(5-3-11-21-19)18(23-24)22-13-14-4-2-10-20-12-14/h2-12,24H,13H2,1H3,(H,22,23)
  • InChiKey: NCCOAMMHLKMIJT-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 dynamin 1 protein 0.0041 0.03 0.0063
Schistosoma mansoni dynamin 0.0041 0.03 0.0063
Toxoplasma gondii dynamin-related protein DRPA 0.0041 0.03 0.03
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0495 1 1
Onchocerca volvulus Peroxidase homolog 0.0038 0.0239 0.5
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0495 1 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Loa Loa (eye worm) DRP-1 protein 0.0041 0.03 0.0063
Echinococcus multilocularis dynamin 1 0.0044 0.0368 0.0132
Echinococcus granulosus dynamin 1 0.0044 0.0368 0.0132
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0495 1 1
Echinococcus multilocularis dynamin 1 protein 0.0041 0.03 0.0063
Onchocerca volvulus Peroxidasin homolog 0.0038 0.0239 0.5
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0495 1 1
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0495 1 1
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0038 0.0239 0.5
Onchocerca volvulus Peroxidasin homolog 0.0038 0.0239 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Onchocerca volvulus Peroxidase homolog 0.0038 0.0239 0.5
Brugia malayi Dynamin central region family protein 0.0041 0.03 0.0063
Mycobacterium ulcerans hypothetical protein 0.0216 0.4039 0.5
Echinococcus granulosus dynamin 0.0041 0.03 0.0063
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0495 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0368 0.0132
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0495 1 1
Brugia malayi Dynamin 0.0044 0.0368 0.0132
Echinococcus multilocularis 0.0495 1 1
Schistosoma mansoni dynamin 0.0044 0.0368 0.0132
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0216 0.4039 0.5
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Onchocerca volvulus Dual oxidase homolog 0.0038 0.0239 0.5
Onchocerca volvulus 0.0038 0.0239 0.5
Echinococcus multilocularis dynamin 0.0041 0.03 0.0063
Onchocerca volvulus 0.0038 0.0239 0.5
Schistosoma mansoni dynamin 0.0044 0.0368 0.0132
Brugia malayi Dynamin 0.0044 0.0368 0.0132
Toxoplasma gondii dynamin-related protein DRPB 0.0041 0.03 0.03
Onchocerca volvulus 0.0038 0.0239 0.5
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0495 1 1
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0495 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 2 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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