General Information of the Compound
Compound ID
CP0440372
Compound Name
1-benzhydryl-4-p-tolylpiperidin-4-ol
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Synonyms
1-benzhydryl-4-p-tolylpiperidin-4-ol
CHEMBL393985
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Structure
Formula
C25H27NO
Molecular Weight
357.497
Canonical SMILES
Cc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H27NO/c1-20-12-14-23(15-13-20)25(27)16-18-26(19-17-25)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,27H,16-19H2,1H3
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InChIKey
ZDADQNJEUZQHKH-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: 9924923
SID: 14896706
ChEMBL ID
CHEMBL393985
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 = 12115 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 = 4054 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 = 940 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 = 55 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-benzhydryl-4-p-tolylpiperidin-4-ol )
Drug Name 1-benzhydryl-4-p-tolylpiperidin-4-ol
Target(s)
Nociceptin receptor (OPRL1)
Inhibitor
Opioid receptor mu (MOP)
Inhibitor
Opioid receptor kappa (OPRK1)
Inhibitor
Opioid receptor delta (OPRD1)
Inhibitor