Detailed information for compound 1633906

Basic information

Technical information
  • TDR Targets ID: 1633906
  • Name: 8-fluoro-3,3-di(phenyl)benzo[e][2]benzoxol-1- one
  • MW: 354.373 | Formula: C24H15FO2
  • H donors: 0 H acceptors: 1 LogP: 5.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)c1C(=O)OC(c1cc2)(c1ccccc1)c1ccccc1
  • InChi: 1S/C24H15FO2/c25-19-13-11-16-12-14-21-22(20(16)15-19)23(26)27-24(21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
  • InChiKey: PSZLGKPDSWMVQI-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-fluoro-3,3-di(phenyl)benzo[g]isobenzofuran-1-one
  • 8-fluoro-3,3-di(phenyl)-1-benzo[g]isobenzofuranone
  • 2907-17-7
  • NCI60_005675

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 hypothetical protein, conserved 0.2773 0.3007 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0879 0.0404 0.2372
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.159 0.1381 0.1423
Toxoplasma gondii hypothetical protein 0.1123 0.074 0.9351
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.3896 0.4552 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis conserved hypothetical protein 0.1161 0.0791 0.0114
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1822 0.1701 1
Toxoplasma gondii hypothetical protein 0.1161 0.0791 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Mycobacterium tuberculosis Conserved hypothetical protein 0.2773 0.3007 0.5948
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.3239 0.3649 0.6457
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Toxoplasma gondii hypothetical protein 0.1123 0.074 0.9351
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1627 0.1432 0.8421
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1627 0.1432 0.1432
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis conserved hypothetical protein 0.1161 0.0791 0.0114
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Loa Loa (eye worm) hypothetical protein 0.7858 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0879 0.0404 0.2372
Mycobacterium leprae conserved hypothetical protein 0.1123 0.074 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Toxoplasma gondii GAF domain-containing protein 0.1123 0.074 0.9351
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis conserved hypothetical protein 0.44 0.5245 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.44 0.5245 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.159 0.1381 0.1423
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.159 0.1381 0.1423
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2773 0.3007 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2773 0.3007 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.3239 0.3649 0.6457
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.2773 0.3007 1
Trichomonas vaginalis conserved hypothetical protein 0.1161 0.0791 0.0114
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1627 0.1432 0.1537
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1627 0.1432 0.8421
Plasmodium falciparum GAF domain-related protein, putative 0.1123 0.074 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1822 0.1701 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.44 0.5245 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.44 0.5245 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.7858 1 1
Plasmodium vivax hypothetical protein, conserved 0.1123 0.074 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.3896 0.4552 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.575 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.027 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.303 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.277 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.1 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. 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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