Details of the Drug

General Information of Drug (ID: DMKZ6JW)

Drug Name

4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole

Synonyms

CHEMBL1097658; 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-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)

215.29

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H17N3
IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
Canonical SMILES: CC1=C(C=C(C=C1)NCCC2=CN=CN2)C
InChI: InChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16)
InChIKey: GHCPLWBMALOXTM-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

Molecular Expression Atlas (MEA)

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References

1	Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.