Detailed information for compound 33111

Basic information

Technical information
  • TDR Targets ID: 33111
  • Name: 5-(3-hydroxyphenyl)spiro[1H-indole-3,1'-cyclo hexane]-2-thione
  • MW: 309.425 | Formula: C19H19NOS
  • H donors: 1 H acceptors: 1 LogP: 4.84 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1ccc2c(c1)C1(CCCCC1)C(=N2)S
  • InChi: 1S/C19H19NOS/c21-15-6-4-5-13(11-15)14-7-8-17-16(12-14)19(18(22)20-17)9-2-1-3-10-19/h4-8,11-12,21H,1-3,9-10H2,(H,20,22)
  • InChiKey: LTFTZHWDALHHMB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5'-(3-hydroxyphenyl)spiro[cyclohexane-1,3'-indoline]-2'-thione
  • 5'-(3-hydroxyphenyl)-2'-spiro[cyclohexane-1,3'-indoline]thione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens progesterone receptor Starlite/ChEMBL References

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 bifunctional dihydrofolate reductase-thymidylate synthase 0.3273 0.9321 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1557 0.432 0.432
Treponema pallidum thymidylate kinase (tmk) 0.0075 0 0.5
Echinococcus multilocularis dihydrofolate reductase 0.0439 0.1061 0.1138
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.3273 0.9321 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3506 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.3273 0.9321 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0439 0.1061 0.1138
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3506 1 1
Brugia malayi dihydrofolate reductase family protein 0.0439 0.1061 0.1138
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0439 0.1061 0.1138
Trypanosoma brucei deoxyuridine triphosphatase, putative 0.0346 0.079 0.079
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3506 1 1
Echinococcus granulosus thymidylate synthase 0.3273 0.9321 1
Echinococcus granulosus dihydrofolate reductase 0.0439 0.1061 0.1138
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3506 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1557 0.432 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0439 0.1061 0.1138
Brugia malayi hypothetical protein 0.1557 0.432 0.4635
Brugia malayi Dihydrofolate reductase 0.0439 0.1061 0.1138
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0075 0 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.0439 0.1061 0.1138
Onchocerca volvulus 0.3273 0.9321 1
Mycobacterium tuberculosis Hypothetical protein 0.1557 0.432 0.4635
Echinococcus multilocularis thymidylate synthase 0.3273 0.9321 1
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0346 0.079 0.079
Mycobacterium ulcerans thymidylate synthase 0.3273 0.9321 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3506 1 1
Chlamydia trachomatis dihydrofolate reductase 0.0439 0.1061 1
Trypanosoma cruzi deoxyuridine triphosphatase, putative 0.0346 0.079 0.079
Giardia lamblia CDC8 0.0075 0 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.0075 0 0.5
Leishmania major deoxyuridine triphosphatase, putative,dUTP diphosphatase 0.0346 0.079 0.079
Brugia malayi thymidylate synthase 0.3273 0.9321 1
Schistosoma mansoni dihydrofolate reductase 0.0439 0.1061 0.1138
Loa Loa (eye worm) thymidylate synthase 0.3273 0.9321 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 2.5 nM Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells ChEMBL. 12657272
EC50 (functional) = 2.5 nM Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells ChEMBL. 12657272

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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