General Information of the Compound
Compound ID
CP0431949
Compound Name
4-phenyl-1-(1-phenylpentyl)piperidin-4-ol
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Synonyms
4-phenyl-1-(1-phenylpentyl)piperidin-4-ol
CHEMBL390882
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Structure
Formula
C22H29NO
Molecular Weight
323.48
Canonical SMILES
CCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H29NO/c1-2-3-14-21(19-10-6-4-7-11-19)23-17-15-22(24,16-18-23)20-12-8-5-9-13-20/h4-13,21,24H,2-3,14-18H2,1H3
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InChIKey
WQECIXIOLXNRTH-UHFFFAOYSA-N
Physicochemical Property
logP
4.9015
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 44426808
ChEMBL ID
CHEMBL390882
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 = 441 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 = 36 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 = 29 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 = 5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-phenyl-1-(1-phenylpentyl)piperidin-4-ol )
Drug Name 4-phenyl-1-(1-phenylpentyl)piperidin-4-ol
Target(s)
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Opioid receptor delta (OPRD1)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor