General Information of the Compound
Compound ID
CP0431954
Compound Name
4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
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Synonyms
4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
CHEMBL388123
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Structure
Formula
C25H27NO
Molecular Weight
357.497
Canonical SMILES
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H27NO/c1-20-10-8-9-15-23(20)24(21-11-4-2-5-12-21)26-18-16-25(27,17-19-26)22-13-6-3-7-14-22/h2-15,24,27H,16-19H2,1H3
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InChIKey
GBDUIWBXAKZJPC-UHFFFAOYSA-N
Physicochemical Property
logP
5.06802
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 9863568
SID: 14828116
ChEMBL ID
CHEMBL388123
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 = 969 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 = 802 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 = 246 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)  2
1
EC50 = 29 nM
   TI
   LI
   LO
   TS
2
Ki = 2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol )
Drug Name 4-phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
Target(s)
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor
Opioid receptor delta (OPRD1)
Inhibitor