Detailed information for compound 1280804

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.478 | Formula: C20H21N5O2S
  • H donors: 2 H acceptors: 3 LogP: 3.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1NC(=O)C1=C(C)Nc2n(C1c1sccc1C)ncn2
  • InChi: 1S/C20H21N5O2S/c1-4-27-15-8-6-5-7-14(15)24-19(26)16-13(3)23-20-21-11-22-25(20)17(16)18-12(2)9-10-28-18/h5-11,17H,4H2,1-3H3,(H,24,26)(H,21,22,23)
  • InChiKey: JTDGQRIVEZLJKQ-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 v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723

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 lamin dm0 0.0033 0.0109 0.0109
Brugia malayi Ets-domain containing protein 0.0087 0.0466 0.0455
Loa Loa (eye worm) hypothetical protein 0.0033 0.0109 0.0109
Echinococcus granulosus lamin 0.0033 0.0109 0.0109
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0011 0.0011
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1555 1 1
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0466 0.0466
Loa Loa (eye worm) hypothetical protein 0.0075 0.0384 0.0384
Onchocerca volvulus 0.0033 0.0109 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1555 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0109 0.0109
Onchocerca volvulus 0.0033 0.0109 0.5
Brugia malayi Fli-1 protein 0.0265 0.1622 0.1613
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0466 0.0466
Brugia malayi intermediate filament protein 0.0033 0.0109 0.0098
Echinococcus granulosus intermediate filament protein 0.0033 0.0109 0.0109
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0109 0.0109
Echinococcus multilocularis musashi 0.0033 0.0109 0.0109
Schistosoma mansoni gabp alpha 0.0087 0.0466 0.036
Echinococcus multilocularis lamin 0.0033 0.0109 0.0109
Schistosoma mansoni serine/threonine protein kinase 0.1555 1 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0466 0.0466
Loa Loa (eye worm) fli-1 protein 0.0265 0.1622 0.1622
Brugia malayi Ets-domain containing protein 0.0087 0.0466 0.0455
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0109 0.0098
Schistosoma mansoni ets-related 0.0265 0.1622 0.153
Loa Loa (eye worm) hypothetical protein 0.0032 0.0106 0.0106
Echinococcus granulosus lamin dm0 0.0033 0.0109 0.0109
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1555 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0079 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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