Details of the Drug

General Information of Drug (ID: DMWITYU)

Drug Name

6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine

Synonyms

6-(4-Methylpiperazin-1-yl)-9H-purin-2-amine; CHEMBL594694; 1196993-60-8; SCHEMBL20093538; MolPort-039-193-873; BBL036459; STL490826; ZINC45352375; BDBM50304514

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)

233.27

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C10H15N7
IUPAC Name: 6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
Canonical SMILES: CN1CCN(CC1)C2=NC(=NC3=C2NC=N3)N
InChI: InChI=1S/C10H15N7/c1-16-2-4-17(5-3-16)9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
InChIKey: HZZXEPZFOVOWIN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 46228161
TTD ID: D0G3RZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H4 receptor (H4R)	TTXJ178	HRH4_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
Histamine H4 receptor (H4R)	DTT	HRH4	1.32E-01	0.1	0.9

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization. Bioorg Med Chem. 2009 Oct 15;17(20):7186-96.