Detailed information for compound 1340705

Basic information

Technical information
  • TDR Targets ID: 1340705
  • Name: T5324885
  • MW: 450.962 | Formula: C19H19ClN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 2.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1c[nH]c2c(c1)nc(n2)SCC(=O)N(C1CCS(=O)(=O)C1)Cc1ccccc1
  • InChi: 1S/C19H19ClN4O3S2/c20-14-8-16-18(21-9-14)23-19(22-16)28-11-17(25)24(10-13-4-2-1-3-5-13)15-6-7-29(26,27)12-15/h1-5,8-9,15H,6-7,10-12H2,(H,21,22,23)
  • InChiKey: KLNNTRIZQCUQOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000772282
  • SMR000344328

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
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.8972 1
Brugia malayi Amiloride-sensitive sodium channel family protein 0.0029 0.5498 0.6128
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Echinococcus granulosus protein vprbp 0.0029 0.5498 0.6128
Loa Loa (eye worm) hypothetical protein 0.0012 0.1028 0.1145
Echinococcus granulosus voltage gated potassium channel 0.0012 0.1028 0.1145
Onchocerca volvulus 0.0029 0.5498 0.5
Echinococcus multilocularis sodium channel nonvoltage gated 1 alpha 0.0029 0.5498 0.6128
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.1028 0.1145
Schistosoma mansoni FMRFamide-gated Na+ channel 0.0029 0.5498 0.5498
Schistosoma mansoni voltage-gated potassium channel 0.0045 1 1
Loa Loa (eye worm) degenerin unc-8 0.0029 0.5498 0.6128
Brugia malayi Degenerin unc-8 0.0029 0.5498 0.6128
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.8972 1
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.1028 0.1145
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0029 0.5498 0.6128
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Brugia malayi Degenerin-like protein C41C4.5 in chromosome II, putative 0.0029 0.5498 0.6128
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.0029 0.5498 0.6128
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.0029 0.5498 0.6128
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.8236 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.1028 0.1028
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.8236 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Loa Loa (eye worm) hypothetical protein 0.0036 0.7495 0.8354
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0029 0.5498 0.5498
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Onchocerca volvulus 0.0029 0.5498 0.5
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Echinococcus multilocularis protein vprbp 0.0029 0.5498 0.6128
Schistosoma mansoni acid sensing ion channel 4 pituitary 0.0029 0.5498 0.5498
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0029 0.5498 0.6128
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.8972 1
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0029 0.5498 0.6128
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0029 0.5498 0.6128
Echinococcus granulosus sodium channel nonvoltage gated 1 alpha 0.0029 0.5498 0.6128
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.1028 0.1028
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.1028 0.1145
Echinococcus multilocularis amiloride sensitive cation channel acid sensing ion channel pituitary 0.0029 0.5498 0.6128
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Loa Loa (eye worm) amiloride-sensitive sodium channel 0.0029 0.5498 0.6128
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0029 0.5498 0.5498
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0029 0.5498 0.5498
Brugia malayi Degenerin mec-4 0.0029 0.5498 0.6128
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0029 0.5498 0.6128
Echinococcus granulosus Na channel amiloride sensitive 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Echinococcus granulosus Na channel amiloride sensitive 0.0029 0.5498 0.6128
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0029 0.5498 0.6128
Echinococcus granulosus amiloride sensitive cation channel 0.0029 0.5498 0.6128
Brugia malayi Amiloride-sensitive sodium channel family protein 0.0029 0.5498 0.6128
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.8972 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.5498 0.6128
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.1028 0.1145
Echinococcus granulosus amiloride sensitive sodium channel 0.0029 0.5498 0.6128
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0029 0.5498 0.5498
Schistosoma mansoni hypothetical protein 0.0029 0.5498 0.5498
Brugia malayi Degenerin-like protein ZK770.1 in chromosome I, putative 0.0029 0.5498 0.6128
Brugia malayi amiloride-sensitive sodium channel alpha-subunit, putative 0.0029 0.5498 0.6128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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