Details of the Drug

General Information of Drug (ID: DM74G6Q)

Drug Name

4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol

Synonyms

CHEMBL54778; 4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol; SCHEMBL7402131; BDBM50079386; Co-101071; 4-[2-(4-Benzyl-piperidin-1-yl)-ethoxy]-phenol(Co 101071)

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)

311.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H25NO2
IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=C(C=C3)O
InChI: InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
InChIKey: CSOKNRXDEKJUFZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10086803
TTD ID: D09BZV

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.