Details of the Drug

General Information of Drug (ID: DML0S8M)

Drug Name

2-chloro-6(methylamino)purine

Synonyms

2-Chloro-6(methylamino)purine; 82499-02-3; 2-CHLORO-N-METHYL-9H-PURIN-6-AMINE; 2-chloro-N-methyl-7H-purin-6-amine; CHEMBL446449; 2-Chloro-6-(methylamino)purine; 2-CHLORO-6-(N-METHYLAMINO)-9H-PURINE; ACMC-20anyt; PubChem9784; 2-chloro-6-methylaminopurine; SCHEMBL130696; AC1NE105; CTK5E9746; DTXSID00404544; RIAVUEFUPHOGJY-UHFFFAOYSA-N; 2-Chloro-6-methylamino-9H-purine; NSC15416; ZINC4429067; NSC-15416; BDBM50208873; AKOS006283488; AKOS015894684; 2-Chloro-6(methylamino)purine, 97%; AB44277; TC-170732

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)

183.6

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H6ClN5
IUPAC Name: 2-chloro-N-methyl-7H-purin-6-amine
Canonical SMILES: CNC1=NC(=NC2=C1NC=N2)Cl
InChI: InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChIKey: RIAVUEFUPHOGJY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4584789
CAS Number: 82499-02-3
TTD ID: D0D9OC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors. Bioorg Med Chem. 2007 May 15;15(10):3450-6.