Details of the Drug

General Information of Drug (ID: DMHZU8K)

Drug Name

N-(3-phenethoxybenzyl)-4-hydroxybenzamide

Synonyms

CHEMBL248875; N-(3-phenethoxybenzyl)-4-hydroxybenzamide; BDBM50220592; CJ 036878; Benzamide, 4-hydroxy-N-((3-(2-phenylethoxy)phenyl)methyl)-

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)

347.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H21NO3
IUPAC Name: 4-hydroxy-N-[[3-(2-phenylethoxy)phenyl]methyl]benzamide
Canonical SMILES: C1=CC=C(C=C1)CCOC2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)O
InChI: InChI=1S/C22H21NO3/c24-20-11-9-19(10-12-20)22(25)23-16-18-7-4-8-21(15-18)26-14-13-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,23,25)
InChIKey: VZKHCMVEWLIXIC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-activity relationship study of novel NR2B-selective antagonists with arylamides to avoid reactive metabolites formation. Bioorg Med Chem Lett. 2007 Oct 15;17(20):5537-42.