Detailed information for compound 276420

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.373 | Formula: C18H23FO
  • H donors: 1 H acceptors: 1 LogP: 4.36 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)C1CCC3(C(C1CC2)CCC3O)C
  • InChi: 1S/C18H23FO/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,20H,3,5-9H2,1H3
  • InChiKey: GWTOYQUFWLAPHJ-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
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0088 0.0704
Trichomonas vaginalis glycogen phosphorylase, putative 0.3095 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0115 0.0114
Loa Loa (eye worm) glycogen phosphorylase 0.3095 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.0206 0.0432
Entamoeba histolytica glycogen phosphorylase, putative 0.3095 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0182 0.0454 0.0429
Echinococcus multilocularis Glycosyl transferase, family 35 0.3095 1 1
Echinococcus granulosus Glycosyl transferase family 35 0.3095 1 1
Echinococcus multilocularis glycogen phosphorylase 0.3095 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.0319 0.9119
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0115 0.0089
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.0348 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0027 0.0008
Trichomonas vaginalis glycogen phosphorylase, putative 0.3095 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0149 0.0348 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.0319 0.0234
Toxoplasma gondii prolyl endopeptidase 0.0141 0.0319 0.8902
Brugia malayi prolyl oligopeptidase family protein 0.007 0.0088 0.0088
Brugia malayi hypothetical protein 0.0051 0.0024 0.0024
Onchocerca volvulus 0.0238 0.0638 0.0441
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0149 0.0348 1
Chlamydia trachomatis glycogen phosphorylase 0.3095 1 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0064 0.0068 0.0105
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0182 0.0454 0.037
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0115 0.495
Echinococcus granulosus thymidylate synthase 0.0106 0.0206 0.018
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0088 0.0061
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.0319 0.0319
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.0319 0.0116
Brugia malayi Serotonin receptor 0.0536 0.1615 0.1615
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0088 0.1973
Mycobacterium tuberculosis Probable peptidase 0.0064 0.0068 0.0105
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.1338 0.4243 1
Echinococcus granulosus glycogen phosphorylase 0.3095 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0182 0.0454 0.0253
Loa Loa (eye worm) thymidylate synthase 0.0106 0.0206 0.0206
Entamoeba histolytica glycogen phosphorylase, putative 0.3095 1 1
Trichomonas vaginalis set domain proteins, putative 0.0238 0.0638 0.0616
Schistosoma mansoni glycogen phosphorylase 0.1338 0.4243 0.4192
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.0232 0.0493
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.0319 0.8979
Echinococcus multilocularis thymidylate synthase 0.0106 0.0206 0.018
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0115 0.0089
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0064 0.0068 0.1365
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0182 0.0454 0.0429
Giardia lamblia Glycogen phosphorylase 0.3095 1 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0064 0.0068 0.1365
Echinococcus granulosus prolyl endopeptidase 0.0141 0.0319 0.0293
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.0206 0.0119
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0115 0.1073
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0115 0.1073
Onchocerca volvulus Glycogen phosphorylase homolog 0.3095 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0115 0.5
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.1338 0.4243 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.0319 0.0234
Loa Loa (eye worm) hypothetical protein 0.0438 0.1294 0.1294
Schistosoma mansoni glycogen phosphorylase 0.3095 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0115 0.0028
Trypanosoma brucei prolyl endopeptidase 0.0141 0.0319 0.8979
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0115 0.5
Brugia malayi hypothetical protein 0.0438 0.1294 0.1294
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.0319 0.0293
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0088 0.0704
Brugia malayi sulfakinin receptor protein 0.0438 0.1294 0.1294
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.0543 0.0543
Mycobacterium ulcerans thymidylate synthase 0.0106 0.0206 0.0331
Trypanosoma cruzi oligopeptidase b 0.0064 0.0068 0.1365
Loa Loa (eye worm) hypothetical protein 0.0079 0.0115 0.0115
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0149 0.0348 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0149 0.0348 1
Schistosoma mansoni glycogen phosphorylase 0.3095 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.0206 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0064 0.0068 0.2291
Brugia malayi prolyl oligopeptidase family protein 0.0182 0.0454 0.0454
Brugia malayi thymidylate synthase 0.0106 0.0206 0.0206
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0088 0.0704
Loa Loa (eye worm) hypothetical protein 0.0141 0.0319 0.0319
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0088 0.1973
Brugia malayi Pre-SET motif family protein 0.0209 0.0543 0.0543
Echinococcus granulosus glycogen phosphorylase 0.3095 1 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0182 0.0454 0.0454
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0088 0.0061
Brugia malayi Probable ClpP-like protease 0.0079 0.0115 0.0115
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0149 0.0348 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0115 0.0114
Echinococcus multilocularis glycogen phosphorylase 0.3095 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0027 0.0008
Trypanosoma cruzi oligopeptidase b 0.0064 0.0068 0.1365

Activities

Activity type Activity value Assay description Source Reference
Ki app (binding) = 13.6 uM Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase ChEMBL. 3457954

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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