Detailed information for compound 1102750

Basic information

Technical information
  • TDR Targets ID: 1102750
  • Name: N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-e nylpiperidin-4-yl]benzamide
  • MW: 392.534 | Formula: C25H32N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1CCC(CC1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(c1)O
  • InChi: 1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
  • InChiKey: GHGXXGRQBXBJPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[1-allyl-4-(3-hydroxyphenyl)-4-piperidyl]-N,N-diethyl-benzamide
  • 4-[1-allyl-4-(3-hydroxyphenyl)-4-piperidinyl]-N,N-diethylbenzamide
  • N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enyl-piperidin-4-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
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
Brugia malayi TAR-binding protein 0.0187 0.2837 0.5868
Schistosoma mansoni hypothetical protein 0.0068 0.0937 0.3303
Loa Loa (eye worm) RNA binding protein 0.0187 0.2837 0.5868
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0348 0.072
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1444 0.2987
Schistosoma mansoni hypothetical protein 0.0032 0.0348 0.1227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0348 0.072
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0176 0.2665 0.5511
Brugia malayi hypothetical protein 0.0311 0.4835 1
Schistosoma mansoni tar DNA-binding protein 0.0187 0.2837 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0348 0.0348
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0634 1 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0348 0.0348
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.133 0.2751
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.2587 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1444 0.2987
Schistosoma mansoni hypothetical protein 0.0032 0.0348 0.1227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.133 0.133
Schistosoma mansoni tar DNA-binding protein 0.0187 0.2837 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.2665 0.5511
Loa Loa (eye worm) hypothetical protein 0.0068 0.0937 0.1938
Loa Loa (eye worm) TAR-binding protein 0.0187 0.2837 0.5868
Loa Loa (eye worm) hypothetical protein 0.0032 0.0348 0.072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.133 0.133
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0348 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.133 0.4689
Brugia malayi RNA binding protein 0.0187 0.2837 0.5868
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0348 0.0348
Echinococcus granulosus tar DNA binding protein 0.0187 0.2837 0.2837
Schistosoma mansoni hypothetical protein 0.0032 0.0348 0.1227
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.133 0.133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.133 0.133
Brugia malayi RNA recognition motif domain containing protein 0.0187 0.2837 0.5868
Echinococcus multilocularis tar DNA binding protein 0.0187 0.2837 0.2837
Loa Loa (eye worm) hypothetical protein 0.01 0.1444 0.2987
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.133 0.4689
Schistosoma mansoni tar DNA-binding protein 0.0187 0.2837 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.133 0.2751
Schistosoma mansoni hypothetical protein 0.0032 0.0348 0.1227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1444 0.2987
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0348 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.133 0.4689
Loa Loa (eye worm) hypothetical protein 0.0311 0.4835 1
Echinococcus granulosus GPCR family 2 0.0032 0.0348 0.0348
Schistosoma mansoni tar DNA-binding protein 0.0187 0.2837 1
Schistosoma mansoni tar DNA-binding protein 0.0187 0.2837 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0348 0.072
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0937 0.1938
Onchocerca volvulus 0.0311 0.4835 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0187 0.2837 0.5868

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.9 nM Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting ChEMBL. 20015649
Ki (binding) = 347 nM Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting ChEMBL. 20015649
Ki (binding) > 890 nM Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting ChEMBL. 20015649

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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