General Information of the Compound
Compound ID
CP0433313
Compound Name
1-benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
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Synonyms
1-benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
CHEMBL401234
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Structure
Formula
C25H27NO2
Molecular Weight
373.496
Canonical SMILES
COc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H27NO2/c1-28-23-14-12-22(13-15-23)25(27)16-18-26(19-17-25)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,27H,16-19H2,1H3
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InChIKey
UWUHHENFQBTZCW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7682
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 10384734
SID: 15400097
ChEMBL ID
CHEMBL401234
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 = 19220 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 = 10298 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 = 11050 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 = 588 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol )
Drug Name 1-benzhydryl-4-(4-methoxyphenyl)piperidin-4-ol
Target(s)
Opioid receptor delta (OPRD1)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Nociceptin receptor (OPRL1)
Inhibitor