Detailed information for compound 219623

Basic information

Technical information
  • TDR Targets ID: 219623
  • Name: 1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)e thanol
  • MW: 360.288 | Formula: C19H22BrNO
  • H donors: 1 H acceptors: 1 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(CN1CCC(CC1)c1ccccc1)O
  • InChi: 1S/C19H22BrNO/c20-18-8-6-17(7-9-18)19(22)14-21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,19,22H,10-14H2
  • InChiKey: SGOVSIWKDDUZIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
  • 1-(4-bromophenyl)-2-(4-phenyl-1-piperidinyl)ethanol
  • 1-(4-bromophenyl)-2-(4-phenylpiperidino)ethanol
  • AIDS-157487
  • AIDS157487
  • NSC642483 (HYDROCHLORIDE SALT)
  • 1-(4-Bromophenyl)-2-(4-phenyl-1-piperidinyl)ethanol hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 18 (vesicular acetylcholine transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Abnormal catecholamine distribution protein 1 solute carrier family 18 (vesicular acetylcholine transporter), member 3 532 aa 504 aa 34.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0184 0.6674 0.6184
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 1 1
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.1511 0.0261
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1511 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1463 0.1117
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.1511 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1511 0.5
Brugia malayi hypothetical protein 0.0027 0.0389 0.0389
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1511 0.5
Schistosoma mansoni hypothetical protein 0.0184 0.6674 0.6394
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.1511 0.0261
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1463 0.1463
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1284 0.0931
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.1511 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0389 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.1511 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.1511 0.0261
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1284 0.1284
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.1511 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0389 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.1511 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1284 0.0551
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.1511 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0389 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0776 0.0402
Echinococcus multilocularis geminin 0.0184 0.6674 0.6184
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1463 0.1463
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.1511 1
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.1511 0.0261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1284 0.0551
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 1 1
Trypanosoma brucei protein kinase, putative 0.0055 0.1511 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0776 0.0776
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.1511 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1284 0.0551
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.1511 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 1 1
Brugia malayi MAP kinase sur-1 0.0055 0.1511 0.1511
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.1511 0.0797
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.1511 0.1167
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.1511 1
Schistosoma mansoni hypothetical protein 0.0184 0.6674 0.6394
Loa Loa (eye worm) hypothetical protein 0.0054 0.1463 0.1117

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 30 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171
Ki (binding) = 30 nM Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles ChEMBL. 9397171

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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