Detailed information for compound 1360659

Basic information

Technical information
  • TDR Targets ID: 1360659
  • Name: 2-[3-(2-chlorophenyl)-2,4-dioxo-[1]benzothiol o[2,3-e]pyrimidin-1-yl]-N-cyclohexylacetamide
  • MW: 467.968 | Formula: C24H22ClN3O3S
  • H donors: 1 H acceptors: 3 LogP: 5.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c2c3ccccc3sc2c(=O)n(c1=O)c1ccccc1Cl)NC1CCCCC1
  • InChi: 1S/C24H22ClN3O3S/c25-17-11-5-6-12-18(17)28-23(30)22-21(16-10-4-7-13-19(16)32-22)27(24(28)31)14-20(29)26-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,29)
  • InChiKey: ADIFCWYBJOIPGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(2-chlorophenyl)-2,4-dioxo-benzothiopheno[2,3-e]pyrimidin-1-yl]-N-cyclohexyl-acetamide
  • 2-[3-(2-chlorophenyl)-2,4-dioxo-1-benzothiopheno[2,3-e]pyrimidinyl]-N-cyclohexylacetamide
  • 2-[3-(2-chlorophenyl)-2,4-diketo-benzothiopheno[2,3-e]pyrimidin-1-yl]-N-cyclohexyl-acetamide
  • 2-[3-(2-chlorophenyl)-2,4-dioxo-[1]benzothiolo[2,3-e]pyrimidin-1-yl]-N-cyclohexyl-ethanamide
  • C688-1184
  • NCGC00111568-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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 kinesin family 1 0.0249 1 1
Brugia malayi Kinesin motor domain containing protein 0.0032 0.082 0.6083
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1523 0.1765
Leishmania major hypothetical protein, conserved 0.003 0.074 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.074 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.074 0.549
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0029 0.0029
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.082 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.1349 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.074 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.1349 0.1349
Giardia lamblia Kinesin-5 0.0032 0.082 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.1098 0.8141
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.074 0.5
Brugia malayi hypothetical protein 0.002 0.0283 0.2098
Schistosoma mansoni kinesin eg-5 0.0032 0.082 0.0951
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0029 0.0029
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1224 0.5
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.082 0.6083
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.1224 0.5
Entamoeba histolytica kinesin, putative 0.0032 0.082 0.5
Plasmodium vivax kinesin-5 0.0032 0.082 1
Plasmodium falciparum kinesin-5 0.0032 0.082 1
Schistosoma mansoni hypothetical protein 0.0014 0.0029 0.0033
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.1349 1
Schistosoma mansoni hypothetical protein 0.0217 0.8629 1
Brugia malayi hypothetical protein 0.003 0.074 0.549
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.1523 0.1765
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.1349 0.1349

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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