Detailed information for compound 438559

Basic information

Technical information
  • TDR Targets ID: 438559
  • Name: 1-benzhydryl-4-(4-dimethylaminophenyl)piperid in-4-ol
  • MW: 386.529 | Formula: C26H30N2O
  • H donors: 1 H acceptors: 1 LogP: 4.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1)C
  • InChi: 1S/C26H30N2O/c1-27(2)24-15-13-23(14-16-24)26(29)17-19-28(20-18-26)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,25,29H,17-20H2,1-2H3
  • InChiKey: ILUNODKBLBXQLL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-benzhydryl-4-(4-dimethylaminophenyl)-4-piperidinol
  • 4-(4-dimethylaminophenyl)-1-[di(phenyl)methyl]piperidin-4-ol
  • 4-(4-dimethylaminophenyl)-1-[di(phenyl)methyl]-4-piperidinol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opiate receptor-like 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis growth hormone secretagogue receptor type 1 opiate receptor-like 1 370 aa 349 aa 22.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0307 0.4044 0.4044
Loa Loa (eye worm) macrophage migration inhibitory factor 0.072 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0062 0.0511 0.0511
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0307 0.4044 0.4044
Leishmania major macrophage migration inhibitory factor-like protein 0.072 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0227 0.0227
Leishmania major macrophage migration inhibitory factor-like protein 0.072 1 0.5
Echinococcus granulosus geminin 0.0112 0.1232 1
Brugia malayi latrophilin 2 splice variant baaae 0.0043 0.0227 0.0227
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.072 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.072 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0062 0.0511 0.0511
Schistosoma mansoni hypothetical protein 0.0112 0.1232 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.072 1 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.072 1 0.5
Schistosoma mansoni hypothetical protein 0.0112 0.1232 1
Giardia lamblia Macrophage migration inhibitory factor 0.072 1 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.072 1 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0227 0.1842
Echinococcus multilocularis geminin 0.0112 0.1232 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0511 0.0511
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0062 0.0511 0.0511
Plasmodium falciparum macrophage migration inhibitory factor 0.072 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) 0 Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) 0 Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) 0 Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) = 4544 nM Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane ChEMBL. 17420123
Ki (binding) = 4544 nM Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane ChEMBL. 17420123

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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