Details of the Drug

General Information of Drug (ID: DMVYWJS)

Drug Name

MEZILAMINE

Synonyms

Mezilamine; Mezilamine [INN]; Mezilaminum [INN-Latin]; Mezilamina [INN-Spanish]; UNII-V243ORA40X; 50335-55-2; BRN 0666978; CHEMBL407641; V243ORA40X; 4-Chloro-2-methylamino-5-methylthio-6-(4-methyl-1-piperazinyl)pyrimidine; 4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine; Mezilaminum; Mezilamina; 4-Chloro-2-(methylamino)-6-(4-methyl-1-piperazinyl)-5-(methylthio)pyrimidine; Pyrimidine, 4-chloro-2-(methylamino)-5-(methylthio)-6-(4-methyl-1-piperazinyl)-; 2-Pyridinamine, 4-chloro-N-methyl-6-(4-met

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)

287.81

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C11H18ClN5S
IUPAC Name: 4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Canonical SMILES: CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C
InChI: InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKey: ITYXRJDDBZMFAY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 68678
CAS Number: 50335-55-2
TTD ID: D06BWZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	4-Amino-6-chloro-2-piperazinopyrimidines with selective affinity for alpha 2-adrenoceptors. J Med Chem. 1986 Aug;29(8):1394-8.