Detailed information for compound 1656746

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.89 | Formula: C18H21ClN2O2S
  • H donors: 0 H acceptors: 3 LogP: 4.6 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCSc1c(C(=O)OCC)c(CCC)nc2c1cccc2.Cl
  • InChi: 1S/C18H20N2O2S.ClH/c1-3-8-15-16(18(21)22-4-2)17(23-12-7-11-19)13-9-5-6-10-14(13)20-15;/h5-6,9-10H,3-4,7-8,12H2,1-2H3;1H
  • InChiKey: QNVGEUBCWVRCJY-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
Entamoeba histolytica recQ family DNA helicase 0.001 0.0055 0.0086
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1447 0.8778
Loa Loa (eye worm) hypothetical protein 0.0019 0.1356 0.9357
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 0.6429 1
Schistosoma mansoni hypothetical protein 0.0055 0.6429 0.6422
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0055 0.6429 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.1356 0.2082
Brugia malayi Doublecortin family protein 0.0019 0.1356 0.8213
Onchocerca volvulus Ribonuclease H1 homolog 0.0021 0.1646 1
Entamoeba histolytica hypothetical protein, conserved 0.0055 0.6429 1
Brugia malayi Bloom's syndrome protein homolog 0.002 0.1447 0.8778
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.1356 0.2082
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0055 0.6429 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.1356 0.2082
Schistosoma mansoni DNA helicase recq1 0.002 0.1447 0.1429
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0237
Schistosoma mansoni loxhd1 0.0019 0.1356 0.1337
Echinococcus multilocularis bloom syndrome protein 0.002 0.1447 0.2225
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.1447 0.2225
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.1646 0.2496
Schistosoma mansoni lipoxygenase 0.0019 0.1356 0.1337
Schistosoma mansoni phosphoglucomutase 0.0021 0.1646 0.1628
Schistosoma mansoni DNA helicase recq5 0.002 0.1447 0.1429
Leishmania major ribonuclease H1, putative 0.0021 0.1646 0.0399
Schistosoma mansoni lipoxygenase 0.0054 0.6301 0.6293
Echinococcus multilocularis RUN 0.0019 0.1356 0.2082
Giardia lamblia Rrm3p helicase 0.0055 0.6429 1
Echinococcus granulosus bloom syndrome protein 0.002 0.1447 0.2225
Entamoeba histolytica DNA repair and recombination protein, putative 0.0055 0.6429 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0055 0.6429 1
Echinococcus granulosus ribonuclease H1 0.0021 0.1646 0.2535
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 0.6429 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0055 0.0237
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0055 0.0034
Schistosoma mansoni rab6-interacting 0.0019 0.1356 0.1337
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.1904 0.0534
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0055 0.6429 0.5825
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1447 0.8793
Echinococcus granulosus RUN 0.0019 0.1356 0.2082
Brugia malayi RNase H family protein 0.0021 0.1646 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0021 0.1646 0.5
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0023 0.1904 0.0534
Schistosoma mansoni phosphoglucomutase 0.0021 0.1646 0.1628
Loa Loa (eye worm) hypothetical protein 0.0019 0.1356 0.9357
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.1356 0.2082
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.1447 0.2225
Trypanosoma cruzi ribonuclease H1, putative 0.0021 0.1646 0.2496
Trypanosoma brucei ribonuclease H1 0.0021 0.1646 0.0232
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.1447 0.8778
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0055 0.6429 1
Echinococcus multilocularis ribonuclease H1 0.0021 0.1646 0.2535
Trichomonas vaginalis ribonuclease H1, putative 0.0021 0.1646 0.0399
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.1904 0.0534
Brugia malayi hypothetical protein 0.0019 0.1356 0.8213
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.1447 0.2225
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.1447 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.1447 0.2225
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0055 0.6429 0.5825
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0055 0.6429 1
Schistosoma mansoni rab6-interacting 0.0019 0.1356 0.1337
Schistosoma mansoni phosphoglucomutase 0.0021 0.1646 0.1628
Treponema pallidum ribonuclease H (rnhA) 0.0021 0.1646 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.1447 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.1356 0.2082
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.1356 0.2082
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0055 0.0406
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.6301 0.98
Brugia malayi RNase H family protein 0.0021 0.1646 1
Giardia lamblia Ribonuclease H 0.0021 0.1646 0.0399
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0055 0.0335
Trypanosoma brucei ingi protein (ORF1) 0.0023 0.1904 0.0534
Schistosoma mansoni hypothetical protein 0.0019 0.1356 0.1337
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.1356 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.1447 1
Loa Loa (eye worm) doublecortin family protein 0.0019 0.1356 0.9357
Schistosoma mansoni polycystin 1-related 0.0019 0.1356 0.1337
Trypanosoma brucei RNA helicase, putative 0.008 1 1
Toxoplasma gondii ribonuclease HI protein 0.0021 0.1646 1
Trypanosoma brucei unspecified product 0.0023 0.1904 0.0534
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.1447 0.2184
Entamoeba histolytica recQ family helicase, putative 0.002 0.1447 0.2251
Onchocerca volvulus 0.0019 0.1356 0.8213
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.1447 0.8793
Brugia malayi hypothetical protein 0.0019 0.1356 0.8213
Loa Loa (eye worm) hypothetical protein 0.002 0.1447 1
Loa Loa (eye worm) RecQ helicase 0.002 0.1447 1
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.6429 1
Brugia malayi RNase H family protein 0.0021 0.1646 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.6301 0.98
Onchocerca volvulus 0.0019 0.1356 0.8213

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 100 uM Inhibition of human N-myristoyltransferase 1 using human pp60Src92-16 amino acids) as substrate ChEMBL. 22439843
Ki (binding) > 100 uM Inhibition of human N-myristoyltransferase 2 using human pp60Src92-16 amino acids) as substrate ChEMBL. 22439843

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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