Detailed information for compound 1308047

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.381 | Formula: C11H11N7O2S2
  • H donors: 3 H acceptors: 7 LogP: 1.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc(s1)NC(=O)CSc1nc(O)c2c(n1)n[nH]c2
  • InChi: 1S/C11H11N7O2S2/c1-2-7-16-18-11(22-7)13-6(19)4-21-10-14-8-5(3-12-17-8)9(20)15-10/h3H,2,4H2,1H3,(H,13,18,19)(H2,12,14,15,17,20)
  • InChiKey: XPTWIZLXBHODDO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni metabotropic glutamate receptor 0.0464 0.3042 0.3335
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1288 0.1288
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0244 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0244 0.088 0.088
Loa Loa (eye worm) glutamate receptor 0.0952 0.7838 0.7838
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0797 0.6319 0.6319
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1082 0.912 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0155 0 0.5
Onchocerca volvulus Poor gastrulation protein homolog 0.0155 0 0.5
Loa Loa (eye worm) glutamate receptor 0.0374 0.2162 0.2162
Loa Loa (eye worm) hypothetical protein 0.1172 1 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0797 0.6319 0.6319
Echinococcus multilocularis metabotropic glutamate receptor 5 0.1172 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.0244 0.088 0.1122
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0862 0.6958 0.8878
Brugia malayi Metabotropic glutamate receptor precursor. 0.0952 0.7838 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0244 0.088 0.088
Loa Loa (eye worm) hypothetical protein 0.0286 0.1288 0.1288
Brugia malayi metabotropic glutamate receptor type 2 0.0464 0.3042 0.3881
Brugia malayi hypothetical protein 0.0286 0.1288 0.1643
Schistosoma mansoni metabotropic glutamate receptor 0.0797 0.6319 0.6929
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1288 0.1288

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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