Details of the Drug

General Information of Drug (ID: DM6I2WQ)

Drug Name

Amezinium

Synonyms

Amezinium methyl sulfate

Indication

Disease Entry	ICD 11	Status	REF
Hypotension	BA20-BA21	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

202.23

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

ADMET Property

Bioavailability: 58% of drug becomes completely available to its intended biological destination(s) [2]
Clearance: The drug present in the plasma can be removed from the body at the rate of 5.1 mL/min/kg [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 14.1 hours [3]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 4 L/kg [3]

Chemical Identifiers

Formula: C11H12N3O+
IUPAC Name: 6-methoxy-1-phenylpyridazin-1-ium-4-amine
Canonical SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2
InChI: InChI=1S/C11H11N3O/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10/h2-8,12H,1H3/p+1
InChIKey: VXROHTDSRBRJLN-UHFFFAOYSA-O

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Modulator	[4]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Hypotension

ICD Disease Classification

BA20-BA21

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)

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Pharmacology of amezinium, a novel antihypotensive drug. III. Studies on the mechanism of action. Arzneimittelforschung. 1981;31(9a):1558-65.