Details of the Drug

General Information of Drug (ID: DM1UK3G)

Drug Name

4-((Z)-1-Naphthalen-1-yl-propenyl)-1H-imidazole

Synonyms

CHEMBL322844; SCHEMBL7919847; ZINC13757204

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)

234.29

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H14N2
IUPAC Name: 5-[(Z)-1-naphthalen-1-ylprop-1-enyl]-1H-imidazole
Canonical SMILES: C/C=C(/C1=CC=CC2=CC=CC=C21)\\C3=CN=CN3
InChI: InChI=1S/C16H14N2/c1-2-13(16-10-17-11-18-16)15-9-5-7-12-6-3-4-8-14(12)15/h2-11H,1H3,(H,17,18)/b13-2-
InChIKey: VDVBKYMIYSQNPM-SILLCRNTSA-N

Cross-matching ID

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]

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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
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Medetomidine analogs as alpha 2-adrenergic ligands. 2. Design, synthesis, and biological activity of conformationally restricted naphthalene deriva... J Med Chem. 1996 Jul 19;39(15):3001-13.