Details of the Drug

General Information of Drug (ID: DMFYBLH)

Drug Name

4-(1-Naphthalen-1-yl-ethyl)-1H-imidazole

Synonyms

CHEMBL306751; 1H-Imidazole, 4-[1-(1-naphthalenyl)ethyl]-; 137967-87-4; ACMC-20mx1j; 4-(1-Naphthalen-1-yl-ethyl)-1H-imidazole; AC1L30EQ; SCHEMBL1551477; CTK0F3329; DTXSID60276325; BDBM50036910; 4-[1-(1-Naphthyl)ethyl]-1H-imidazole; 5-(1-naphthalen-1-ylethyl)-1H-imidazole; 4-(1-(naphthalene-1-yl) 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)

222.28

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C15H14N2
IUPAC Name: 5-(1-naphthalen-1-ylethyl)-1H-imidazole
Canonical SMILES: CC(C1=CC=CC2=CC=CC=C21)C3=CN=CN3
InChI: InChI=1S/C15H14N2/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13/h2-11H,1H3,(H,16,17)
InChIKey: DZSQSLQSMKNVBV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132111
CAS Number: 137967-87-4
TTD ID: D0P5PW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	A structure-activity relationship study of benzylic modifications of 4-[1-(1-naphthyl)ethyl]-1H-imidazoles on alpha 1- and alpha 2-adrenergic recep... J Med Chem. 1994 Jul 22;37(15):2328-33.