Detailed information for compound 1727180

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.843 | Formula: C18H16ClNO2S
  • H donors: 0 H acceptors: 1 LogP: 5.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(Sc2ccc(cc2)Cl)c2c(n1C)ccc(c2)C
  • InChi: 1S/C18H16ClNO2S/c1-11-4-9-15-14(10-11)17(16(20(15)2)18(21)22-3)23-13-7-5-12(19)6-8-13/h4-10H,1-3H3
  • InChiKey: XGLWEDSSJPEVQY-UHFFFAOYSA-N  

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
Schistosoma mansoni hypothetical protein 0.0169 0.136 0.2333
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0272 0.2557 0.4945
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0523 0.5463 1
Brugia malayi dihydrofolate reductase family protein 0.0472 0.4873 1
Brugia malayi MH2 domain containing protein 0.0119 0.0782 0.1506
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0129 0.0905 0.1599
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0272 0.2557 0.4163
Echinococcus multilocularis dihydrofolate reductase 0.0472 0.4873 0.472
Onchocerca volvulus 0.0272 0.2557 0.5
Echinococcus multilocularis geminin 0.0169 0.136 0.1101
Brugia malayi thymidylate synthase 0.0272 0.2557 0.519
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.309 0.5627
Entamoeba histolytica hypothetical protein 0.0076 0.0291 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0523 0.5463 1
Echinococcus granulosus thymidylate synthase 0.0272 0.2557 0.4945
Echinococcus granulosus dihydrofolate reductase 0.0472 0.4873 1
Mycobacterium ulcerans thymidylate synthase 0.0272 0.2557 0.3432
Entamoeba histolytica hypothetical protein 0.0076 0.0291 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0472 0.4873 1
Brugia malayi Dihydrofolate reductase 0.0472 0.4873 1
Loa Loa (eye worm) thymidylate synthase 0.0272 0.2557 0.519
Echinococcus granulosus geminin 0.0169 0.136 0.2333
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.115 0.205
Schistosoma mansoni dihydrofolate reductase 0.0472 0.4873 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.1347 0.1113
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0472 0.4873 1
Brugia malayi hypothetical protein 0.0076 0.0291 0.0485
Loa Loa (eye worm) dihydrofolate reductase 0.0472 0.4873 1
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0905 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0782 0.1506
Chlamydia trachomatis dihydrofolate reductase 0.0472 0.4873 0.5
Entamoeba histolytica hypothetical protein 0.0076 0.0291 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0782 0.1506
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.309 0.5627
Leishmania major mitochondrial DNA polymerase beta 0.0318 0.309 0.4499
Entamoeba histolytica hypothetical protein 0.0076 0.0291 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0318 0.309 0.4499
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0523 0.5463 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0523 0.5463 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0472 0.4873 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0523 0.5463 0.5
Brugia malayi hypothetical protein 0.0129 0.0905 0.176
Schistosoma mansoni hypothetical protein 0.0169 0.136 0.2333
Echinococcus multilocularis thymidylate synthase 0.0272 0.2557 0.2334
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0523 0.5463 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 163000 nM Viral Plaque Reduction Assay BINDINGDB. 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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