Detailed information for compound 214177

Basic information

Technical information
  • TDR Targets ID: 214177
  • Name: [5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-yl] methanol
  • MW: 322.333 | Formula: C19H15FN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(o1)c1nn(c2c1ccc(c2)F)Cc1ccccc1
  • InChi: 1S/C19H15FN2O2/c20-14-6-8-16-17(10-14)22(11-13-4-2-1-3-5-13)21-19(16)18-9-7-15(12-23)24-18/h1-10,23H,11-12H2
  • InChiKey: CCXIVOGMSQZBSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [5-(1-benzyl-6-fluoro-indazol-3-yl)-2-furyl]methanol
  • [5-(1-benzyl-6-fluoro-3-indazolyl)-2-furyl]methanol
  • [5-[6-fluoro-1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
  • [5-[6-fluoro-1-(phenylmethyl)indazol-3-yl]-2-furyl]methanol
  • [5-[6-fluoro-1-(phenylmethyl)-3-indazolyl]-2-furyl]methanol
  • [5-[1-(benzyl)-6-fluoro-indazol-3-yl]-2-furyl]methanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 5A, cGMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
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 dihydropyridine-sensitive l-type calcium channel 0.0643 0.2065 0.4841
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0074 0.0084 0.0084
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Schistosoma mansoni hypothetical protein 0.0054 0.0017 0.004
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0054 0.0017 0.5
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Onchocerca volvulus 0.0054 0.0017 0.5
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0054 0.0017 0.0017
Onchocerca volvulus 0.0054 0.0017 0.5
Onchocerca volvulus 0.0054 0.0017 0.5
Treponema pallidum hypothetical protein 0.0054 0.0017 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0054 0.0017 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium vivax thrombospondin-related anonymous protein 0.0054 0.0017 0.5
Echinococcus granulosus collagen alpha 1VII chain 0.0054 0.0017 0.0017
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0074 0.0084 0.0198
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0054 0.0017 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0084 0.5
Plasmodium falciparum thrombospondin-related anonymous protein 0.0054 0.0017 0.5
Schistosoma mansoni serine-rich repeat protein 0.0687 0.2217 0.5199
Brugia malayi Zona pellucida-like domain containing protein 0.0054 0.0017 0.009
Schistosoma mansoni hypothetical protein 0.0054 0.0017 0.004
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0074 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0054 0.0017 0.009
Onchocerca volvulus 0.0054 0.0017 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0053 0.6141
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2923 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi Cache domain containing protein 0.0589 0.1876 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0053 0.6141
Echinococcus granulosus voltage dependent calcium channel subunit 0.1329 0.4454 0.4454
Brugia malayi Zona pellucida-like domain containing protein 0.0054 0.0017 0.009
Schistosoma mansoni hypothetical protein 0.0687 0.2217 0.5199
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1275 0.4265 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Treponema pallidum 76K protein 0.0054 0.0017 0.5
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0054 0.0017 0.009
Entamoeba histolytica elongation factor-2 kinase, putative 0.0054 0.0017 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0054 0.0017 0.1735
Loa Loa (eye worm) CUTiclin-Like family member 0.0054 0.0017 0.009
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0054 0.0017 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Entamoeba histolytica hypothetical protein, conserved 0.0054 0.0017 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0054 0.0017 0.009
Toxoplasma gondii hypothetical protein 0.0065 0.0053 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0054 0.0017 0.009
Loa Loa (eye worm) hypothetical protein 0.0589 0.1876 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0054 0.0017 0.5
Brugia malayi von Willebrand Factor 0.0054 0.0017 0.009
Loa Loa (eye worm) CUTiclin family member 0.0054 0.0017 0.009
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0084 1
Entamoeba histolytica hypothetical protein 0.0054 0.0017 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Entamoeba histolytica hypothetical protein, conserved 0.0054 0.0017 0.5
Onchocerca volvulus 0.0054 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0053 0.6141
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Onchocerca volvulus 0.0054 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0017 0.009
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0017 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 0.0084 1
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0084 1
Onchocerca volvulus 0.0054 0.0017 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0084 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1329 0.4454 0.4454
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0084 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Brugia malayi von Willebrand factor type A domain containing protein 0.0054 0.0017 0.009
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0084 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0737 0.2391 0.2391

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 37.2 pM of cGMP (min)-1 (mg of protein)-1 sGC activation was determined in the presence of [alpha-32P]GTP at a concentration of 82 microM ChEMBL. 11606139
Activity (binding) = 37.2 pM of cGMP (min)-1 (mg of protein)-1 sGC activation was determined in the presence of [alpha-32P]GTP at a concentration of 82 microM ChEMBL. 11606139
Control (functional) = 83.3 % Effect of the compound on the survival of rat aortic smooth muscle cells ChEMBL. 12408703
IC50 (binding) = 14 uM Inhibition of PDE5 from platelets ChEMBL. 11606139
IC50 (binding) = 14 uM Inhibition of PDE5 from platelets ChEMBL. 11606139
IC50 (functional) = 21.7 uM Inhibition of platelet aggregation induced by AA (100 microM) ChEMBL. 11606139
IC50 (functional) = 25.2 uM Inhibition of platelet aggregation induced by Collagen (10 microM) ChEMBL. 11606139
IC50 (functional) = 53.4 uM Inhibition of platelet aggregation induced by PAF (2 ng/mL) ChEMBL. 11606139
IC50 (functional) = 217.4 uM Inhibition of platelet aggregation induced by thrombin (0.1 unit/ml) ChEMBL. 11606139

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

2 literature references were collected for this gene.

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