Details of the Drug

General Information of Drug (ID: DMPY4G1)

Drug Name
4-phenyl-4-[1H-imidazol-2-yl]-piperidine
Synonyms CHEMBL382326; 4-phenyl-4-[1H-imidazol-2-yl]-piperidine; SCHEMBL14173644
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) 436.5
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C28H28N4O
IUPAC Name
4-(1-benzylimidazol-2-yl)-N,4-diphenylpiperidine-1-carboxamide
Canonical SMILES
C1CN(CCC1(C2=CC=CC=C2)C3=NC=CN3CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI
InChI=1S/C28H28N4O/c33-27(30-25-14-8-3-9-15-25)31-19-16-28(17-20-31,24-12-6-2-7-13-24)26-29-18-21-32(26)22-23-10-4-1-5-11-23/h1-15,18,21H,16-17,19-20,22H2,(H,30,33)
InChIKey
SSXWGBNGZDJNOZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44406272
TTD ID
D07PPK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor delta (OPRD1) TT27RFC OPRD_HUMAN Inhibitor [1]
Opioid receptor kappa (OPRK1) TTQW87Y OPRK_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 delta (OPRD1) DTT OPRD1 5.52E-01 0.03 0.23
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 4-Phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives, a novel class of selective delta-opioid agonists. Bioorg Med Chem Lett. 2006 Jan 1;16(1):146-9.