General Information of the Compound
Compound ID
CP0442425
Compound Name
1-benzhydryl-4-(4-fluorophenyl)piperidin-4-ol
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Synonyms
1-benzhydryl-4-(4-fluorophenyl)piperidin-4-ol
CHEMBL232066
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Structure
Formula
C24H24FNO
Molecular Weight
361.46
Canonical SMILES
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
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InChI
InChI=1S/C24H24FNO/c25-22-13-11-21(12-14-22)24(27)15-17-26(18-16-24)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,27H,15-18H2
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InChIKey
WBNMPDBWSUFASE-UHFFFAOYSA-N
Physicochemical Property
logP
4.8987
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: 10089987
SID: 15077070
ChEMBL ID
CHEMBL232066
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 = 3325 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 = 759 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 = 771 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 = 14 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-benzhydryl-4-(4-fluorophenyl)piperidin-4-ol )
Drug Name 1-benzhydryl-4-(4-fluorophenyl)piperidin-4-ol
Target(s)
Opioid receptor delta (OPRD1)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Nociceptin receptor (OPRL1)
Inhibitor