Detailed information for compound 1171600

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 207.295 | Formula: C10H13N3S
  • H donors: 2 H acceptors: 1 LogP: 2.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNc1nc2c(s1)cc(cc2)N
  • InChi: 1S/C10H13N3S/c1-2-5-12-10-13-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5,11H2,1H3,(H,12,13)
  • InChiKey: ZCKYLTRMIOBQPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0192 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0786 0.0606
Schistosoma mansoni hypothetical protein 0.032 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0786 0.0606
Entamoeba histolytica hypothetical protein 0.0037 0.0443 1
Echinococcus multilocularis snurportin 1 0.032 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0443 0.0256
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 1 1
Leishmania major importin beta-1 subunit, putative 0.0024 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0443 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0786 0.0606
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0151 0.4296 0.4184
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0312 0.9725 0.972
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0786 0.0623
Plasmodium vivax importin-beta 2, putative 0.003 0.0192 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0786 0.0606
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0443 0.0256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0786 0.0606
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0192 0.5
Trichomonas vaginalis importin beta-1, putative 0.0024 0 0.5
Echinococcus multilocularis high voltage activated calcium channel beta 0.0151 0.4296 0.4184
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0786 0.0606
Entamoeba histolytica hypothetical protein 0.0037 0.0443 1
Brugia malayi hypothetical protein 0.0037 0.0443 0.0263
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0786 0.0606
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.0312 0.9725 1
Plasmodium falciparum importin beta, putative 0.003 0.0192 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0192 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0443 1
Brugia malayi RNA, U transporter 1 0.0085 0.2061 0.196
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0786 0.0606
Schistosoma mansoni hypothetical protein 0.0037 0.0443 0.0256
Entamoeba histolytica hypothetical protein 0.0037 0.0443 1
Echinococcus granulosus high voltage activated calcium channel beta 0.0151 0.4296 0.4184

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 98 uM Antimicrobial activity against Leishmania infantum ChEMBL. 20185316
IC50 (functional) = 200 uM Antimicrobial activity against Trichomonas vaginalis ChEMBL. 20185316

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.