Details of the Drug

General Information of Drug (ID: DM8JM4Q)

Drug Name

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

Synonyms

CHEMBL100870; 763907-80-8; 4-[2-(4-Phenyl-piperidin-1-yl)-ethoxy]-phenol; CTK2G7823; DTXSID50445220; BDBM50079384; 4-[2-(4-Phenylpiperidino)ethoxy]phenol; Phenol, 4-[2-(4-phenyl-1-piperidinyl)ethoxy]-

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)

297.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H23NO2
IUPAC Name: 4-[2-(4-phenylpiperidin-1-yl)ethoxy]phenol
Canonical SMILES: C1CN(CCC1C2=CC=CC=C2)CCOC3=CC=C(C=C3)O
InChI: InChI=1S/C19H23NO2/c21-18-6-8-19(9-7-18)22-15-14-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-9,17,21H,10-15H2
InChIKey: JRNIKKDZNLWUQY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10806596
CAS Number: 763907-80-8
TTD ID: D0Q8PE

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.