Detailed information for compound 188824

Basic information

Technical information
  • TDR Targets ID: 188824
  • Name: 5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-1H- indazole
  • MW: 329.438 | Formula: C22H23N3
  • H donors: 1 H acceptors: 1 LogP: 4.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CC1CCN(CC1)CC#Cc1ccc2c(c1)cn[nH]2
  • InChi: 1S/C22H23N3/c1-2-5-18(6-3-1)15-20-10-13-25(14-11-20)12-4-7-19-8-9-22-21(16-19)17-23-24-22/h1-3,5-6,8-9,16-17,20H,10-15H2,(H,23,24)
  • InChiKey: KIDRVLWOPFGWLW-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-1H-indazole
  • 5-[3-(4-benzyl-1-piperidinyl)prop-1-ynyl]-1H-indazole
  • 5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]-1H-indazole
  • 5-[3-(4-benzylpiperidino)prop-1-ynyl]-1H-indazole
  • 5-[3-[4-(phenylmethyl)-1-piperidyl]prop-1-ynyl]-1H-indazole
  • 5-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]-1H-indazole
  • 5-[3-[4-(benzyl)-1-piperidyl]prop-1-ynyl]-1H-indazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478

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
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0048 0.2019 0.5
Echinococcus granulosus g protein coupled receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide Y receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Brugia malayi neuropeptide F receptor 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0048 0.2019 0.5
Brugia malayi GnHR receptor homolog 0.0048 0.2019 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0048 0.2019 0.2551
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Loa Loa (eye worm) melatonin receptor type 1A 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptide receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0048 0.2019 0.2551
Brugia malayi RE15519p 0.0048 0.2019 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) TYRA-2 protein 0.0048 0.2019 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0048 0.2019 0.2551
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptide receptor A26 0.0048 0.2019 0.2551
Brugia malayi G-protein coupled receptor 0.0048 0.2019 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0048 0.2019 0.2551
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.6972 0.881
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus multilocularis sex peptide receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0048 0.2019 0.2551
Echinococcus multilocularis serotonin receptor 0.0048 0.2019 0.2551
Echinococcus granulosus allatostatin A receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus neuropeptide receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus nmda type glutamate receptor 0.01 0.7455 0.942
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi Serotonin receptor 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Brugia malayi putative neuropeptide receptor 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0048 0.2019 0.5
Echinococcus multilocularis g protein coupled receptor 0.0048 0.2019 0.2551
Echinococcus granulosus g protein coupled receptor 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Echinococcus granulosus g protein coupled receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0048 0.2019 0.2551
Echinococcus granulosus biogenic amine 5HT receptor 0.0048 0.2019 0.2551
Brugia malayi Serotonin receptor 0.0048 0.2019 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0048 0.2019 0.5
Brugia malayi AKH receptor 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Echinococcus multilocularis serotonin receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi larval opioid receptor 0.0048 0.2019 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.7914 1
Echinococcus granulosus somatostatin receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptides capa receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis somatostatin receptor 0.0048 0.2019 0.2551
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0048 0.2019 0.2551
Echinococcus granulosus tm gpcr rhodopsin 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0048 0.2019 0.5
Echinococcus granulosus hypothetical protein 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0048 0.2019 0.2551
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Brugia malayi ORL1-like opioid receptor 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi Melatonin receptor type 1A 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi sulfakinin receptor protein 0.0048 0.2019 0.5
Echinococcus granulosus sex peptide receptor 0.0048 0.2019 0.2551
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0048 0.2019 0.2551
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptide s receptor 0.0048 0.2019 0.2551
Brugia malayi Dopamine receptor protein 1 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi Dopamine receptor protein 2 0.0048 0.2019 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0048 0.2019 0.2551
Echinococcus multilocularis fmrfamide receptor 0.0048 0.2019 0.2551
Brugia malayi follicle stimulating hormone receptor 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis allatostatin A receptor 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptides capa receptor 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide s receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptide receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0048 0.2019 0.2551
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus g-protein coupled receptor 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0048 0.2019 0.5
Echinococcus multilocularis g protein coupled receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus orexin receptor type 2 0.0048 0.2019 0.2551
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0048 0.2019 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0048 0.2019 0.5
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.6972 0.881
Echinococcus multilocularis neuropeptides capa receptor 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide Y receptor 0.0048 0.2019 0.2551
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide FF receptor 2 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide receptor A26 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0048 0.2019 0.2551
Echinococcus granulosus serotonin receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus multilocularis neuropeptide Y receptor 0.0048 0.2019 0.2551
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0048 0.2019 0.5
Brugia malayi G protein-coupled receptor 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0048 0.2019 0.5
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus multilocularis orexin receptor type 2 0.0048 0.2019 0.2551
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis g protein coupled receptor 0.0048 0.2019 0.2551
Brugia malayi putative neuropeptide receptor NPR1 0.0048 0.2019 0.5
Echinococcus granulosus fmrfamide receptor 0.0048 0.2019 0.2551
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus granulosus G protein coupled receptor 139 0.0048 0.2019 0.2551
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0048 0.2019 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0048 0.2019 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis fmrfamide receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0048 0.2019 0.2551
Onchocerca volvulus 0.0048 0.2019 0.5
Brugia malayi G-protein coupled receptor 0.0048 0.2019 0.5
Brugia malayi neuropeptide F receptor 0.0048 0.2019 0.5
Brugia malayi Dopamine receptor 0.0048 0.2019 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0048 0.2019 0.2551
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0048 0.2019 0.5
Onchocerca volvulus 0.0048 0.2019 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0048 0.2019 0.2551
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0048 0.2019 0.2551
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.7455 0.942
Loa Loa (eye worm) hypothetical protein 0.0048 0.2019 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0048 0.2019 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0048 0.2019 0.2551
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.7914 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Brugia malayi hypothetical protein 0.0048 0.2019 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0048 0.2019 0.2551
Loa Loa (eye worm) G-protein coupled receptor 0.0048 0.2019 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551
Echinococcus granulosus neuropeptide receptor 0.0048 0.2019 0.2551
Echinococcus granulosus rhodopsin orphan GPCR 0.0048 0.2019 0.2551

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.38 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes ChEMBL. 10978188
IC50 (binding) = 0.38 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes ChEMBL. 10978188
IC50 (binding) > 100 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes ChEMBL. 10978188
IC50 (binding) > 100 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes ChEMBL. 10978188
IC50 (binding) > 100 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes ChEMBL. 10978188
IC50 (binding) > 100 uM Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes ChEMBL. 10978188

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.