Details of the Drug

General Information of Drug (ID: DMOMAXJ)

Drug Name

1-(2-Phenoxy-ethyl)-1H-imidazole

Synonyms

CHEMBL284827; 1-(2-Phenoxy-ethyl)-1H-imidazole; 1H-Imidazole, 1-(2-phenoxyethyl)-; 1-(2-Phenoxyethyl)imidazole; SCHEMBL10370478; INUSBZKZIYQSRM-UHFFFAOYSA-N; ZINC26473891; BDBM50025988; AKOS002677376

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)

188.23

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H12N2O
IUPAC Name: 1-(2-phenoxyethyl)imidazole
Canonical SMILES: C1=CC=C(C=C1)OCCN2C=CN=C2
InChI: InChI=1S/C11H12N2O/c1-2-4-11(5-3-1)14-9-8-13-7-6-12-10-13/h1-7,10H,8-9H2
InChIKey: INUSBZKZIYQSRM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13569172
TTD ID: D0R8NE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Steroid 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Selective thromboxane synthetase inhibitors. 1. 1-[(Aryloxy)alkyl]-1H-imidazoles. J Med Chem. 1985 Oct;28(10):1427-32.