General Information of Drug (ID: DMJ8F60)

Drug Name
1-benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
Synonyms CHEMBL393971; 1-benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 344.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H24N2O
IUPAC Name
1-benzhydryl-4-pyridin-2-ylpiperidin-4-ol
Canonical SMILES
C1CN(CCC1(C2=CC=CC=N2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H24N2O/c26-23(21-13-7-8-16-24-21)14-17-25(18-15-23)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,26H,14-15,17-18H2
InChIKey
RQPLUPANAPAMMF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10427620
TTD ID
D0D9BB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nociceptin receptor (OPRL1) TTNT7K8 OPRX_HUMAN Inhibitor [1]
Opioid receptor kappa (OPRK1) TTQW87Y OPRK_HUMAN Inhibitor [1]
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor kappa (OPRK1) DTT OPRK1 9.17E-01 0.04 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Bioorg Med Chem Lett. 2007 Jun 1;17(11):3028-33. Epub 2007 Mar 21.Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2.