Details of the Drug

General Information of Drug (ID: DMZX2BH)

Drug Name

N-(4-methyl-benzyl)-4-phenoxy-benzamide

Synonyms

CHEMBL199174; N-(4-methyl-benzyl)-4-phenoxy-benzamide; AC1OVMY0; BDBM50174096

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)

317.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H19NO2
IUPAC Name: N-[(4-methylphenyl)methyl]-4-phenoxybenzamide
Canonical SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H19NO2/c1-16-7-9-17(10-8-16)15-22-21(23)18-11-13-20(14-12-18)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,22,23)
InChIKey: ZMFAZMUZJXZNMY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5274-9.