Detailed information for compound 1758281

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.416 | Formula: C17H19N3O3S
  • H donors: 1 H acceptors: 1 LogP: 2.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1nc2cc(sc2c(=O)n1C)c1ccccc1OC
  • InChi: 1S/C17H19N3O3S/c1-20-16(21)15-12(19-17(20)18-8-9-22-2)10-14(24-15)11-6-4-5-7-13(11)23-3/h4-7,10H,8-9H2,1-3H3,(H,18,19)
  • InChiKey: OMXMXJVSSCSIRK-UHFFFAOYSA-N  


Substructure search Similarity search

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 TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Chlamydia trachomatis biotin carboxylase 0.0455 0.2843 1
Leishmania major acetyl-CoA carboxylase, putative 0.1316 1 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0178 0.0541 0.0927
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0178 0.0541 0.1676
Trypanosoma cruzi acetyl-CoA carboxylase 0.0815 0.5832 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0501 0.3226 0.2839
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0501 0.3226 0.2839
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1316 1 1
Trypanosoma brucei acetyl-CoA carboxylase 0.1316 1 1
Toxoplasma gondii pyruvate carboxylase 0.0501 0.3226 0.3226
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0501 0.3226 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0501 0.3226 0.5531
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0178 0.0541 0.0541
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0296 0.1523 0.1038
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0178 0.0541 0.1676
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0178 0.0541 0.0541
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0952 0.6976 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0178 0.0541 0.1676
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0178 0.0541 0.0927
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0501 0.3226 0.3226
Trypanosoma brucei unspecified product 0.0329 0.1798 0.1798
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0178 0.0541 0.0927
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0501 0.3226 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0501 0.3226 0.3226
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0178 0.0541 0.1676
Leishmania major carboxylase, putative 0.0501 0.3226 0.3226
Schistosoma mansoni pyruvate carboxylase 0.0501 0.3226 0.3226
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0224 0.0924 0.5
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0501 0.3226 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1316 1 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.127 0.9617 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0501 0.3226 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0178 0.0541 0.1676
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0501 0.3226 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0501 0.3226 0.3226
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0178 0.0541 0.0541
Schistosoma mansoni acetyl-CoA carboxylase 0.1316 1 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1316 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0952 0.6976 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0501 0.3226 0.3226
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0501 0.3226 0.3226
Mycobacterium ulcerans pyruvate carboxylase 0.0501 0.3226 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0178 0.0541 0.1676
Brugia malayi Carboxyl transferase domain containing protein 0.127 0.9617 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0501 0.3226 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0178 0.0541 0.0541
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0178 0.0541 0.0541
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0501 0.3226 0.5531
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0501 0.3226 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0224 0.0924 0.5
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0298 0.154 0.1056
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0178 0.0541 0.1676

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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