Detailed information for compound 172580

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.366 | Formula: C15H17NO2S
  • H donors: 0 H acceptors: 1 LogP: 3.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1Cc2c(CN1C)sc1c2cccc1
  • InChi: 1S/C15H17NO2S/c1-3-18-15(17)12-8-11-10-6-4-5-7-13(10)19-14(11)9-16(12)2/h4-7,12H,3,8-9H2,1-2H3
  • InChiKey: VDEGSCDQEWFPSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 bromodomain containing 2 0.0432 0.8944 0.8802
Trichomonas vaginalis bromodomain-containing protein, putative 0.0269 0.514 0.2658
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.017 0.2828 0.5
Schistosoma mansoni RNA binding protein 0.017 0.2828 0.1095
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0478 1 1
Brugia malayi brahma associated protein 60 kDa 0.0478 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.017 0.2828 0.5
Onchocerca volvulus 0.0194 0.3381 0.0771
Loa Loa (eye worm) CBP-B 0.01 0.1209 0.1209
Echinococcus granulosus bromodomain containing 2 0.0432 0.8944 0.8824
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.017 0.2828 0.1095
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.017 0.2828 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.2828 0.2828
Brugia malayi SWIB/MDM2 domain containing protein 0.0478 1 1
Echinococcus granulosus ring and YY1 binding protein 0.017 0.2828 0.2012
Loa Loa (eye worm) hypothetical protein 0.017 0.2828 0.2828
Leishmania major hypothetical protein, conserved 0.017 0.2828 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0432 0.8944 0.8405
Entamoeba histolytica bromodomain-containing protein 0.0194 0.3381 0.5
Brugia malayi YY1-associated factor 2 0.017 0.2828 0.1095
Echinococcus granulosus Nuclear pore complex protein Nup153 0.017 0.2828 0.2012
Loa Loa (eye worm) brahma associated protein 0.0478 1 1
Echinococcus multilocularis zinc finger protein Ran binding 0.017 0.2828 0.1861
Echinococcus granulosus Zinc finger RanBP2 type 0.017 0.2828 0.2012
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.017 0.2828 0.1861
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.017 0.2828 0.1095
Toxoplasma gondii bromodomain-containing protein 0.0194 0.3381 0.0771
Schistosoma mansoni hypothetical protein 0.0478 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.017 0.2828 0.1095
Echinococcus multilocularis SWI:SNF matrix associated 0.0478 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.017 0.2828 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0478 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.017 0.2828 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.017 0.2828 0.1095
Echinococcus multilocularis SWI:SNF matrix associated 0.0478 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0478 1 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0478 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0478 1 1
Schistosoma mansoni fusion 0.017 0.2828 0.1095
Giardia lamblia Kinase, putative 0.0194 0.3381 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.2828 0.2828
Schistosoma mansoni hypothetical protein 0.017 0.2828 0.1095
Trypanosoma cruzi hypothetical protein, conserved 0.017 0.2828 0.5
Brugia malayi Bromodomain containing protein 0.0432 0.8944 0.8689
Schistosoma mansoni brg-1 associated factor 0.0478 1 1
Leishmania major hypothetical protein, conserved 0.017 0.2828 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0478 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0478 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0269 0.514 0.2658
Schistosoma mansoni TRABID protein (C64 family) 0.017 0.2828 0.1095
Leishmania major hypothetical protein, conserved 0.017 0.2828 0.5
Leishmania major hypothetical protein, conserved 0.017 0.2828 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0194 0.3381 0.3381
Loa Loa (eye worm) hypothetical protein 0.0432 0.8944 0.8944
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0478 1 0.5
Schistosoma mansoni hypothetical protein 0.0478 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.017 0.2828 0.5
Schistosoma mansoni hypothetical protein 0.0478 1 1
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0432 0.8944 0.8689
Brugia malayi hypothetical protein 0.0163 0.2672 0.0901
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0478 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.017 0.2828 0.1861
Trichomonas vaginalis bromodomain containing protein, putative 0.0269 0.514 0.2658
Echinococcus granulosus zinc finger protein Ran binding 0.017 0.2828 0.2012
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.017 0.2828 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.2828 0.2828
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.017 0.2828 0.5
Echinococcus multilocularis Bromodomain containing protein 0.0194 0.3381 0.2488
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0478 1 1
Brugia malayi Bromodomain containing protein 0.0432 0.8944 0.8689
Echinococcus multilocularis SWI:SNF matrix associated 0.0478 1 1
Trypanosoma brucei hypothetical protein, conserved 0.017 0.2828 0.5
Echinococcus granulosus CREB binding protein 0.0132 0.1946 0.1029
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0478 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0269 0.514 0.2658
Trypanosoma brucei hypothetical protein, conserved 0.017 0.2828 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.017 0.2828 0.5
Onchocerca volvulus 0.0478 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0239 0.4431 0.1587
Loa Loa (eye worm) hypothetical protein 0.017 0.2828 0.2828
Entamoeba histolytica bromodomain-containing protein 0.0194 0.3381 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0269 0.514 0.2658
Plasmodium vivax hypothetical protein, conserved 0.0478 1 0.5
Entamoeba histolytica bromodomain-containing protein 0.0194 0.3381 0.5
Schistosoma mansoni zinc finger protein 0.017 0.2828 0.1095
Chlamydia trachomatis SWIB complex protein 0.0478 1 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.017 0.2828 0.5
Leishmania major hypothetical protein, conserved 0.017 0.2828 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.017 0.2828 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0432 0.8944 0.8405
Echinococcus multilocularis Zinc finger, RanBP2 type 0.017 0.2828 0.1861

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 32.9 Lessening of memory impairment measured in mice; time of latency in seconds at an intravenous dose of 10 mg/kg. ChEMBL. 1977911
Activity (functional) = 22 Anticonflict activity measured in male wistar rats; number of shocks received in 5 min at an intrevenous dose of 10 mg/kg. ChEMBL. 1977911
Activity (functional) = 32.9 Lessening of memory impairment measured in mice; time of latency in seconds at an intravenous dose of 10 mg/kg. ChEMBL. 1977911

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

1 literature reference was collected for this gene.

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