Details of the Drug

General Information of Drug (ID: DM9UGO0)

Drug Name

4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine

Synonyms

CHEMBL113018; 4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine; SCHEMBL14129876; BDBM50138231

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)

273.33

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H19N3O2
IUPAC Name: 4-[2-(4-imidazol-1-ylphenoxy)ethyl]morpholine
Canonical SMILES: C1COCCN1CCOC2=CC=C(C=C2)N3C=CN=C3
InChI: InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
InChIKey: PXFGMZGVHWPLCC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[1]
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_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
Albendazole monooxygenase (CYP3A4)	DTT	CYP3A4	1.02E-14	-3.12	-2.25

Molecular Expression Atlas (MEA)

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References

1	Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.