Detailed information for compound 213612

Basic information

Technical information
  • TDR Targets ID: 213612
  • Name: [5-(1-benzyl-6-methylindazol-3-yl)furan-2-yl] methanol
  • MW: 318.369 | Formula: C20H18N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(o1)c1nn(c2c1ccc(c2)C)Cc1ccccc1
  • InChi: 1S/C20H18N2O2/c1-14-7-9-17-18(11-14)22(12-15-5-3-2-4-6-15)21-20(17)19-10-8-16(13-23)24-19/h2-11,23H,12-13H2,1H3
  • InChiKey: JQKVINIJSAKLSO-UHFFFAOYSA-N  

Network

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Synonyms

  • [5-(1-benzyl-6-methyl-indazol-3-yl)-2-furyl]methanol
  • [5-(1-benzyl-6-methyl-3-indazolyl)-2-furyl]methanol
  • [5-[6-methyl-1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
  • [5-[6-methyl-1-(phenylmethyl)indazol-3-yl]-2-furyl]methanol
  • [5-[6-methyl-1-(phenylmethyl)-3-indazolyl]-2-furyl]methanol
  • [5-[1-(benzyl)-6-methyl-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
Trichomonas vaginalis cAMP-specific 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
Leishmania infantum 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
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
Trichomonas vaginalis conserved hypothetical protein 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 high-affinity cGMP-specific 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
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 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
Toxoplasma gondii hypothetical protein 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 brucei gambiense cAMP-specific 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
Trypanosoma cruzi 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
Trichomonas vaginalis cone 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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, 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 rod cGMP-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 cAMP-specific 3,5-cyclic 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
Trichomonas vaginalis 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
Leishmania donovani 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
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 rod cGMP-specific 3,5-cyclic 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 calcium/calmodulin-dependent 3,5-cyclic nucleotide 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 cGMP-dependent 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
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
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
Schistosoma japonicum expressed protein 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 brucei cAMP-specific phosphodiesterase 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
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 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
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase 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
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP 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
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 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 cAMP-specific phosphodiesterase, putative 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
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase 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

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 serine-rich repeat protein 0.1041 0.2261 0.5202
Onchocerca volvulus 0.0082 0.0073 0.5
Plasmodium falciparum thrombospondin-related anonymous protein 0.0082 0.0073 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.0073 0.0046
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2016 0.4486 0.4456
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Onchocerca volvulus 0.0082 0.0073 0.5
Treponema pallidum hypothetical protein 0.0082 0.0073 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0054 0.7311
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0054 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0033 0.449
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0082 0.0073 0.5
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0082 0.0073 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0073 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0082 0.0073 0.5
Onchocerca volvulus 0.0082 0.0073 0.5
Onchocerca volvulus 0.0082 0.0073 0.5
Loa Loa (eye worm) hypothetical protein 0.0892 0.1922 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0054 0.5
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0082 0.0073 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0054 1
Plasmodium vivax thrombospondin-related anonymous protein 0.0082 0.0073 0.5
Onchocerca volvulus 0.0082 0.0073 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1934 0.4298 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0033 0.449
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0082 0.0073 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0033 0.449
Schistosoma mansoni hypothetical protein 0.1041 0.2261 0.5202
Echinococcus granulosus voltage dependent calcium channel subunit 0.2016 0.4486 0.4456
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0082 0.0073 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 0.0054 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0082 0.0073 0.5
Entamoeba histolytica hypothetical protein 0.0082 0.0073 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0082 0.0073 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.4433 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 0.0054 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Entamoeba histolytica hypothetical protein, conserved 0.0082 0.0073 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Treponema pallidum 76K protein 0.0082 0.0073 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0975 0.211 0.4845
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Schistosoma mansoni hypothetical protein 0.0082 0.0073 0.0046
Echinococcus granulosus collagen alpha 1VII chain 0.0082 0.0073 0.002
Entamoeba histolytica elongation factor-2 kinase, putative 0.0082 0.0073 0.5
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0082 0.0073 0.002
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Onchocerca volvulus 0.0082 0.0073 0.5
Onchocerca volvulus 0.0082 0.0073 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0054 0.7311
Toxoplasma gondii microneme protein MIC2 0.0082 0.0073 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0054 0.7311
Brugia malayi Cache domain containing protein 0.0892 0.1922 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 35.1 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) = 35.1 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
IC50 (binding) = 8.4 uM Inhibition of PDE5 from platelets ChEMBL. 11606139
IC50 (binding) = 8.4 uM Inhibition of PDE5 from platelets ChEMBL. 11606139
IC50 (functional) = 45.9 uM Inhibition of platelet aggregation induced by Collagen (10 microM) ChEMBL. 11606139
IC50 (functional) = 49.4 uM Inhibition of platelet aggregation induced by AA (100 microM) ChEMBL. 11606139
IC50 (functional) = 72 uM Inhibition of platelet aggregation induced by PAF (2 ng/mL) ChEMBL. 11606139
IC50 (functional) = 146.9 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

1 literature reference was collected for this gene.

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