Details of the Drug

General Information of Drug (ID: DMECQB4)

Drug Name

2-[4-(2-Morpholin-4-ylethoxy)phenoxy]benzooxazole

Synonyms

Benzoxazole compound, 10d; SCHEMBL2168507; CHEMBL482256; BDBM24209

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)

340.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H20N2O4
IUPAC Name: 2-[4-(2-morpholin-4-ylethoxy)phenoxy]-1,3-benzoxazole
Canonical SMILES: C1COCCN1CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3
InChI: InChI=1S/C19H20N2O4/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2
InChIKey: NVSWCWWHQRVUDU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_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
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

Molecular Expression Atlas (MEA)

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References

1	Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.