General Information of the Compound
Compound ID
CP0536325
Compound Name
1-(3,3-diphenylpropyl)-4-phenylpiperidin-4-ol
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Synonyms
1-(3,3-diphenylpropyl)-4-phenylpiperidin-4-ol
CHEMBL230033
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Structure
Formula
C26H29NO
Molecular Weight
371.524
Canonical SMILES
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
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InChI
InChI=1S/C26H29NO/c28-26(24-14-8-3-9-15-24)17-20-27(21-18-26)19-16-25(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25,28H,16-21H2
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InChIKey
VJCUYHKRHUNZBN-UHFFFAOYSA-N
Physicochemical Property
logP
5.1922
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
23.47
Hydrogen Bond Donor Count
1
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: 44426803
ChEMBL ID
CHEMBL230033
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 613 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3,3-diphenylpropyl)-4-phenylpiperidin-4-ol )
Drug Name 1-(3,3-diphenylpropyl)-4-phenylpiperidin-4-ol
Target(s)
Nociceptin receptor (OPRL1)
Inhibitor