General Information of the Compound
Compound ID
CP0377392
Compound Name
1-benzhydryl-4-ethoxy-4-phenylpiperidine
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Synonyms
1-benzhydryl-4-ethoxy-4-phenylpiperidine
CHEMBL229016
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Structure
Formula
C26H29NO
Molecular Weight
371.524
Canonical SMILES
CCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C26H29NO/c1-2-28-26(24-16-10-5-11-17-24)18-20-27(21-19-26)25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3
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InChIKey
HFALMYBPBZADRA-UHFFFAOYSA-N
Physicochemical Property
logP
5.8038
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10022129
SID: 15003542
ChEMBL ID
CHEMBL229016
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 898 nM
   TI
   LI
   LO
   TS
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 488 nM
   TI
   LI
   LO
   TS
Protein ID: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 377 nM
   TI
   LI
   LO
   TS
Protein ID: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 59 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-benzhydryl-4-ethoxy-4-phenylpiperidine )
Drug Name 1-benzhydryl-4-ethoxy-4-phenylpiperidine
Target(s)
Opioid receptor kappa (OPRK1)
Inhibitor
Opioid receptor delta (OPRD1)
Inhibitor
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor