Details of the Drug

General Information of Drug (ID: DM6UC8Y)

Drug Name

N-(3-(trifluoromethoxy)benzyl)-4-phenoxybenzamide

Synonyms

CHEMBL198832; N-(3-(trifluoromethoxy)benzyl)-4-phenoxybenzamide

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): 1

Molecular Weight (mw)

387.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C21H16F3NO3
IUPAC Name: 4-phenoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)OC(F)(F)F
InChI: InChI=1S/C21H16F3NO3/c22-21(23,24)28-19-8-4-5-15(13-19)14-25-20(26)16-9-11-18(12-10-16)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,25,26)
InChIKey: CPWFANWMCRGXMG-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]

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Molecular Interaction Atlas (MIA)

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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)

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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.