General Information of Drug (ID: DMUYPMO)

Drug Name
4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-4-ol
Synonyms CHEMBL234581; 4-(2-(aminomethyl)phenyl)-1-benzylpiperidin-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) 296.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H24N2O
IUPAC Name
4-[2-(aminomethyl)phenyl]-1-benzylpiperidin-4-ol
Canonical SMILES
C1CN(CCC1(C2=CC=CC=C2CN)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c20-14-17-8-4-5-9-18(17)19(22)10-12-21(13-11-19)15-16-6-2-1-3-7-16/h1-9,22H,10-15,20H2
InChIKey
RPBRGKBDJGSAFB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44430036
TTD ID
D05NIE

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]
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
Nociceptin receptor (OPRL1) DTT OPRL1 1.75E-01 0.05 0.25
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.