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 multilocularis 0.0495 1 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0216 0.4039 0.5
Brugia malayi Dynamin 0.0044 0.0368 0.0132
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Toxoplasma gondii dynamin-related protein DRPA 0.0041 0.03 0.03
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0495 1 1
Echinococcus granulosus dynamin 1 0.0044 0.0368 0.0132
Onchocerca volvulus 0.0038 0.0239 0.5
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Echinococcus multilocularis dynamin 1 0.0044 0.0368 0.0132
Brugia malayi Dynamin central region family protein 0.0041 0.03 0.0063
Onchocerca volvulus 0.0038 0.0239 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0368 0.0132
Mycobacterium ulcerans hypothetical protein 0.0216 0.4039 0.5
Onchocerca volvulus Peroxidase homolog 0.0038 0.0239 0.5
Plasmodium falciparum 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
Loa Loa (eye worm) DRP-1 protein 0.0041 0.03 0.0063
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0495 1 1
Onchocerca volvulus Peroxidase homolog 0.0038 0.0239 0.5
Schistosoma mansoni dynamin 0.0044 0.0368 0.0132
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0495 1 1
Schistosoma mansoni dynamin 0.0044 0.0368 0.0132
Onchocerca volvulus 0.0038 0.0239 0.5
Brugia malayi Dynamin 0.0044 0.0368 0.0132
Schistosoma mansoni dynamin 0.0041 0.03 0.0063
Echinococcus granulosus dynamin 0.0041 0.03 0.0063
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0495 1 1
Onchocerca volvulus Peroxidasin homolog 0.0038 0.0239 0.5
Toxoplasma gondii dynamin-related protein DRPB 0.0041 0.03 0.03
Echinococcus multilocularis dynamin 0.0041 0.03 0.0063
Echinococcus multilocularis dynamin 1 protein 0.0041 0.03 0.0063
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0495 1 1
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0495 1 1
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0495 1 1
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0495 1 1
Onchocerca volvulus Dual oxidase homolog 0.0038 0.0239 0.5
Echinococcus granulosus dynamin 1 protein 0.0041 0.03 0.0063
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0495 1 1
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0495 1 1
Trichomonas vaginalis 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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