Detailed information for compound 1407107

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.341 | Formula: C13H14N4O2S
  • H donors: 1 H acceptors: 4 LogP: 1.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC#N)nnc1c1ccccc1O
  • InChi: 1S/C13H14N4O2S/c1-19-8-7-17-12(10-4-2-3-5-11(10)18)15-16-13(17)20-9-6-14/h2-5,18H,7-9H2,1H3
  • InChiKey: BBZOITZJWQXJBH-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

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis serotonin receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis g protein coupled receptor 0.0256 0.7171 0.6205
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0256 0.7171 1
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0256 0.7171 0.6205
Echinococcus granulosus hypothetical protein 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0256 0.7171 0.6205
Echinococcus granulosus 7tm_1 domain containing protein 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus granulosus neuropeptide receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis g protein coupled receptor 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0256 0.7171 0.6205
Echinococcus granulosus fmrfamide receptor 0.0256 0.7171 0.6205
Echinococcus granulosus biogenic amine 5HT receptor 0.0256 0.7171 0.6205
Echinococcus granulosus tm gpcr rhodopsin 0.0256 0.7171 0.6205
Echinococcus granulosus g protein coupled receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0256 0.7171 0.6205
Echinococcus granulosus serotonin receptor 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis neuropeptide receptor A26 0.0256 0.7171 0.6205
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0256 0.7171 0.6205
Schistosoma mansoni amine GPCR 0.0256 0.7171 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0256 0.7171 0.6205
Echinococcus multilocularis G-protein coupled receptor, putative 0.0256 0.7171 0.6205
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0256 0.7171 0.6205
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0256 0.7171 1
Schistosoma mansoni neuropeptide receptor 0.0256 0.7171 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Schistosoma mansoni alpha-1 adrenergic receptor 0.0256 0.7171 1
Schistosoma mansoni biogenic amine receptor 0.0256 0.7171 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0256 0.7171 1
Echinococcus granulosus neuropeptide receptor A26 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis orexin receptor type 2 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0256 0.7171 1
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis neuropeptides capa receptor 0.0256 0.7171 0.6205
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0256 0.7171 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0256 0.7171 1
Echinococcus granulosus neuropeptide Y receptor 0.0256 0.7171 0.6205
Echinococcus granulosus g-protein coupled receptor 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Onchocerca volvulus 0.0256 0.7171 0.5
Schistosoma mansoni biogenic amine receptor 0.0256 0.7171 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis fmrfamide receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis neuropeptide Y receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0256 0.7171 0.6205
Echinococcus multilocularis somatostatin receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis dro:myosuppressin receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis fmrfamide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni hypothetical protein 0.0256 0.7171 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0256 0.7171 0.6205
Schistosoma mansoni biogenic amine receptor 0.0256 0.7171 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0256 0.7171 0.6205
Echinococcus granulosus allatostatin A receptor 0.0256 0.7171 0.6205
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0256 0.7171 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus granulosus g protein coupled receptor 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Schistosoma mansoni neuropeptide receptor 0.0256 0.7171 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0256 0.7171 0.6205
Schistosoma mansoni amine GPCR 0.0256 0.7171 1
Echinococcus multilocularis serotonin receptor 0.0256 0.7171 0.6205
Echinococcus granulosus sex peptide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni neuropeptide F-like receptor 0.0256 0.7171 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis neuropeptide receptor 0.0256 0.7171 0.6205
Echinococcus granulosus neuropeptides capa receptor 0.0256 0.7171 0.6205
Echinococcus granulosus dro:myosuppressin receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0256 0.7171 0.6205
Schistosoma mansoni myosin xvIII 0.0256 0.7171 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0256 0.7171 1
Echinococcus granulosus neuropeptide s receptor 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus multilocularis neuropeptides capa receptor 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Schistosoma mansoni histamine h1 receptor 0.0256 0.7171 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus granulosus tm gpcr rhodopsin 0.0256 0.7171 0.6205
Schistosoma mansoni hypothetical protein 0.0256 0.7171 1
Echinococcus granulosus tm gpcr rhodopsin 0.0256 0.7171 0.6205
Echinococcus multilocularis sex peptide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0256 0.7171 1
Schistosoma mansoni neuropeptide receptor 0.0256 0.7171 1
Onchocerca volvulus 0.0256 0.7171 0.5
Schistosoma mansoni neuropeptide receptor 0.0256 0.7171 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0256 0.7171 1
Echinococcus granulosus g protein coupled receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis G protein coupled receptor 139 0.0256 0.7171 0.6205
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0256 0.7171 0.6205
Schistosoma mansoni hypothetical protein 0.0256 0.7171 1
Echinococcus multilocularis allatostatin A receptor 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni amine GPCR 0.0256 0.7171 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Schistosoma mansoni opsin-like receptor 0.0256 0.7171 1
Schistosoma mansoni hypothetical protein 0.0256 0.7171 1
Echinococcus granulosus somatostatin receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis neuropeptide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni amine GPCR 0.0256 0.7171 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus multilocularis neuropeptide Y receptor 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Schistosoma mansoni adenoreceptor 0.0256 0.7171 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0256 0.7171 1
Echinococcus granulosus G protein coupled receptor 139 0.0256 0.7171 0.6205
Echinococcus granulosus neuropeptides capa receptor 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus granulosus biogenic amine 5HT receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis g-protein coupled receptor 0.0256 0.7171 0.6205
Echinococcus granulosus peptide allatostatin:somatostatin 0.0256 0.7171 0.6205
Schistosoma mansoni growth hormone secretagogue receptor 0.0256 0.7171 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0256 0.7171 0.6205
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0256 0.7171 0.6205
Echinococcus granulosus neuropeptide Y receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis g protein coupled receptor 0.0256 0.7171 0.6205
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0256 0.7171 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus granulosus neuropeptide receptor 0.0256 0.7171 0.6205
Schistosoma mansoni opsin-like receptor 0.0256 0.7171 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0256 0.7171 0.6205
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0256 0.7171 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0256 0.7171 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0256 0.7171 0.6205
Schistosoma mansoni opsin-like receptor 0.0256 0.7171 1
Onchocerca volvulus 0.0256 0.7171 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0256 0.7171 1
Echinococcus granulosus orexin receptor type 2 0.0256 0.7171 0.6205
Schistosoma mansoni amine GPCR 0.0256 0.7171 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0256 0.7171 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0256 0.7171 0.6205
Onchocerca volvulus 0.0256 0.7171 0.5
Onchocerca volvulus 0.0256 0.7171 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus multilocularis neuropeptide s receptor 0.0256 0.7171 0.6205
Echinococcus multilocularis rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Echinococcus granulosus rhodopsin orphan GPCR 0.0256 0.7171 0.6205
Schistosoma mansoni biogenic amine (5HT) receptor 0.0256 0.7171 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0256 0.7171 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0256 0.7171 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0256 0.7171 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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.

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