Details of the Drug

General Information of Drug (ID: DMB6SNE)

Drug Name

4-(2-Imidazol-1-yl-ethoxy)-benzamide

Synonyms

CHEMBL30395; 4-(2-Imidazol-1-yl-ethoxy)-benzamide; SCHEMBL3005716; DVALIYTWWUIPGC-UHFFFAOYSA-N; BDBM50025995; 75912-57-1; 1-[2-(4-carbamoylphenoxy)ethyl]imidazole; 4-(2-(1H-imidazol-1-yl)ethoxy)benzamide; 1-[2-(4-carbamoyl phenoxy)ethyl]imidazole

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)

231.25

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H13N3O2
IUPAC Name: 4-(2-imidazol-1-ylethoxy)benzamide
Canonical SMILES: C1=CC(=CC=C1C(=O)N)OCCN2C=CN=C2
InChI: InChI=1S/C12H13N3O2/c13-12(16)10-1-3-11(4-2-10)17-8-7-15-6-5-14-9-15/h1-6,9H,7-8H2,(H2,13,16)
InChIKey: DVALIYTWWUIPGC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13569177
TTD ID: D0Y1YZ

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

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References

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