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]
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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
TTD ID: D0J8PY

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.