Detailed information for compound 1489410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.482 | Formula: C17H28N2OS
  • H donors: 1 H acceptors: 1 LogP: 5.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1c(CC2CCCCC2)nc([nH]c1=O)SCC(C)C
  • InChi: 1S/C17H28N2OS/c1-4-14-15(10-13-8-6-5-7-9-13)18-17(19-16(14)20)21-11-12(2)3/h12-13H,4-11H2,1-3H3,(H,18,19,20)
  • InChiKey: OXIMPZMFIJLDQU-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
Loa Loa (eye worm) hypothetical protein 0.034 0.2432 1
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.5065 0.5065
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.217 0.8925
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0058 0.0237
Echinococcus multilocularis snurportin 1 0.0305 0.217 0.217
Leishmania major importin beta-1 subunit, putative 0.0023 0.0016 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0016 0.1009
Loa Loa (eye worm) acetyltransferase 0.0144 0.0937 0.3853
Schistosoma mansoni importin beta-1 0.0029 0.0058 0.0058
Brugia malayi Sodium:solute symporter family protein 0.034 0.2432 1
Echinococcus granulosus solute carrier family 5 0.1331 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0162 0.0162
Mycobacterium ulcerans epoxide hydrolase EphA 0.0173 0.1159 0.5
Echinococcus multilocularis solute carrier family 5 0.1331 1 1
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0348 0.2496 0.2496
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.034 0.2432 1
Schistosoma mansoni hypothetical protein 0.0305 0.217 0.217
Schistosoma mansoni inositol transporter 0.1331 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0058 1
Schistosoma mansoni hypothetical protein 0.0168 0.1123 0.1123
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 0.1009
Brugia malayi GH02984p 0.034 0.2432 1
Echinococcus multilocularis sodium:glucose cotransporter 2 0.1331 1 1
Echinococcus granulosus geminin 0.0168 0.1123 0.1123
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.034 0.2432 0.2432
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.0906 0.0906
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0162 0.0666
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0135 1
Entamoeba histolytica hypothetical protein 0.0023 0.0016 0.121
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0348 0.2496 0.2496
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0162 0.0666
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0058 0.0058
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0016 1
Plasmodium falciparum importin beta, putative 0.0029 0.0058 0.4265
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0135 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.1331 1 1
Echinococcus multilocularis sodium:myo inositol cotransporter 0.1331 1 1
Schistosoma mansoni high-affinity choline transporter 0.034 0.2432 0.2432
Loa Loa (eye worm) hypothetical protein 0.0029 0.0058 0.0237
Schistosoma mansoni hypothetical protein 0.0168 0.1123 0.1123
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0135 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0058 0.0237
Echinococcus multilocularis geminin 0.0168 0.1123 0.1123
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0173 0.1159 0.5
Echinococcus granulosus snurportin 1 0.0305 0.217 0.217
Echinococcus granulosus solute carrier family 28 0.0348 0.2496 0.2496
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.0937 0.0937
Brugia malayi Cytochrome P450 family protein 0.0022 0.0011 0.0044
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0162 1
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.5065 0.5065
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.0937 0.3853
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0162 1
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0348 0.2496 0.2496
Brugia malayi RNA, U transporter 1 0.0081 0.046 0.1893
Echinococcus granulosus microtubule associated protein 2 0.0685 0.5065 0.5065
Onchocerca volvulus 0.034 0.2432 0.5
Echinococcus granulosus high affinity choline transporter 1 0.034 0.2432 0.2432
Schistosoma mansoni inositol transporter 0.1331 1 1
Loa Loa (eye worm) hypothetical protein 0.034 0.2432 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0162 1
Echinococcus granulosus importin subunit beta 1 0.0029 0.0058 0.0058
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0016 0.1009
Echinococcus granulosus sodium:myo inositol cotransporter 0.1331 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.0937 0.0937
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0011 0.0044
Echinococcus multilocularis solute carrier family 28 0.0348 0.2496 0.2496
Plasmodium vivax importin-beta 2, putative 0.0029 0.0058 0.3557
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.034 0.2432 0.2432
Echinococcus multilocularis high affinity choline transporter 1 0.034 0.2432 0.2432
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0058 1
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0227 0.1572 0.1572
Schistosoma mansoni sodium/solute symporter 0.034 0.2432 0.2432

Activities

No activities found for this compound.

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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