Details of the Drug

General Information of Drug (ID: DMQZ0D6)

Drug Name
4-Benzyl-1-(2-phenoxy-ethyl)-piperidine
Synonyms 4-benzyl-1-(2-phenoxyethyl)piperidine; CHEMBL102659; 4-Benzyl-1-(2-phenoxy-ethyl)-piperidine; AC1LPA49; SCHEMBL5888854; HRBKFQYSVXXYDE-UHFFFAOYSA-N; ZINC1159765
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) 295.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H25NO
IUPAC Name
4-benzyl-1-(2-phenoxyethyl)piperidine
Canonical SMILES
C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)15-16-22-20-9-5-2-6-10-20/h1-10,19H,11-17H2
InChIKey
HRBKFQYSVXXYDE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1328600
ChEBI ID
CHEMBL102659
TTD ID
D0J8PY
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
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References

1 4-Hydroxy-1-[2-(4-hydroxyphenoxy)ethyl]-4-(4-methylbenzyl)piperidine: a novel, potent, and selective NR1/2B NMDA receptor antagonist. J Med Chem. 1999 Jul 29;42(15):2993-3000.