Details of the Drug

General Information of Drug (ID: DMAFCZL)

Drug Name

9-Cyclopropyl-9H-adenine

Synonyms

CHEMBL469409; 9-Cyclopropyl-9H-adenine; 9-cyclopropylpurin-6-amine; AC1L987W

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)

175.19

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H9N5
IUPAC Name: 9-cyclopropylpurin-6-amine
Canonical SMILES: C1CC1N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C8H9N5/c9-7-6-8(11-3-10-7)13(4-12-6)5-1-2-5/h3-5H,1-2H2,(H2,9,10,11)
InChIKey: QKMZACGKMJHVSI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorg Med Chem. 2009 Apr 1;17(7):2812-22.