Detailed information for compound 165887

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.374 | Formula: C20H24FO5P
  • H donors: 3 H acceptors: 5 LogP: 2.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C[C@@H](CP(=O)(Cc1c(C)cc(cc1c1ccc(c(c1)C)F)C)O)O
  • InChi: 1S/C20H24FO5P/c1-12-6-13(2)18(11-27(25,26)10-16(22)9-20(23)24)17(7-12)15-4-5-19(21)14(3)8-15/h4-8,16,22H,9-11H2,1-3H3,(H,23,24)(H,25,26)/t16-/m0/s1
  • InChiKey: XUWHWHKLDSCKDJ-INIZCTEOSA-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 0.0091 0.1682 0.1682
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0155 0.0277
Schistosoma mansoni jumonji domain containing protein 0.0074 0.1191 0.213
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Treponema pallidum fructose-bisphosphate aldolase 0.0286 0.7542 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0368 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0368 1 1
Brugia malayi beta-lactamase family protein 0.0035 0.0021 0.0021
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.3155 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0091 0.1682 0.1682
Echinococcus granulosus serotonin transporter 0.0091 0.1682 0.3008
Echinococcus multilocularis vesicular acetylcholine transporter 0.0221 0.559 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.4605 0.4605
Loa Loa (eye worm) hypothetical protein 0.0091 0.1682 0.1682
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0155 0.0277
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0221 0.559 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.3155 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0368 1 1
Loa Loa (eye worm) serotonin transporter b 0.0091 0.1682 0.1682
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0021 0.0021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1682 0.1682
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Onchocerca volvulus 0.0091 0.1682 0.2982
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0368 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.7542 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1767 0.316
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1767 0.316
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 0.7542 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0021 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Brugia malayi jmjC domain containing protein 0.0093 0.1767 0.1767
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0021 0.0038
Brugia malayi beta-lactamase 0.0035 0.0021 0.0021
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0021 0.0038
Echinococcus multilocularis serotonin transporter 0.0091 0.1682 0.3008
Brugia malayi beta-lactamase family protein 0.0035 0.0021 0.0021
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.7542 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0021 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0091 0.1682 0.1682
Loa Loa (eye worm) beta-lactamase 0.0035 0.0021 0.0021
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0021 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0431 0.0431
Brugia malayi vesicular acetylcholine transporter unc-17 0.0221 0.559 0.559
Loa Loa (eye worm) norepinephrine transporter 0.0091 0.1682 0.1682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0221 0.559 0.559
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0091 0.1682 0.3008
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0731 0.0731
Schistosoma mansoni sodium/chloride dependent transporter 0.0091 0.1682 0.3008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.7542 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0021 0.0038
Schistosoma mansoni vesicular acetylcholine transporter 0.0221 0.559 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.5715 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.3155 0.5503
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0021
Echinococcus granulosus vesicular acetylcholine transporter 0.0221 0.559 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0021 0.0021

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 89.3 uM Inhibition of rat microsomal HMG-CoA reductase activity by 50% ChEMBL. 2231594
IC50 (binding) = 89.3 uM Inhibition of rat microsomal HMG-CoA reductase activity by 50% ChEMBL. 2231594

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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