Detailed information for compound 924236

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.876 | Formula: C17H19ClN4O2S
  • H donors: 0 H acceptors: 1 LogP: 4.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1sc2n(n1)c(=O)c(nn2)C(C)(C)C)(Oc1ccc(cc1)Cl)C
  • InChi: 1S/C17H19ClN4O2S/c1-16(2,3)12-13(23)22-15(20-19-12)25-14(21-22)17(4,5)24-11-8-6-10(18)7-9-11/h6-9H,1-5H3
  • InChiKey: WJZLPLIKERGXBV-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 FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis amiloride sensitive cation channel acid sensing ion channel pituitary 0.0056 0 0.5
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0056 0 0.5
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0056 0 0.5
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus granulosus Na channel amiloride sensitive 0.0056 0 0.5
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0056 0 0.5
Echinococcus multilocularis sodium channel nonvoltage gated 1 alpha 0.0056 0 0.5
Echinococcus granulosus protein vprbp 0.0056 0 0.5
Schistosoma mansoni acid sensing ion channel 4 pituitary 0.0056 0 0.5
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Schistosoma mansoni FMRFamide-gated Na+ channel 0.0056 0 0.5
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus granulosus sodium channel nonvoltage gated 1 alpha 0.0056 0 0.5
Echinococcus granulosus amiloride sensitive cation channel 0.0056 0 0.5
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0056 0 0.5
Onchocerca volvulus 0.0086 1 1
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0056 0 0.5
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.0086 1 1
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus multilocularis protein vprbp 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0056 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 0 0.5
Echinococcus granulosus amiloride sensitive sodium channel 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0056 0 0.5
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0056 0 0.5
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0056 0 0.5
Echinococcus granulosus Na channel amiloride sensitive 0.0056 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 21.06 mm Antibacterial activity against Escherichia coli MTCC-725 assessed as zone of inhibition at 1 ug/ml ChEMBL. 25019476
MLD (ADMET) = 2.26 g/Kg Toxicity in po dosed Swiss albino mouse after 72 hrs ChEMBL. 25019476

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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