Details of the Drug

General Information of Drug (ID: DMHJG5N)

Drug Name

(9-Benzyl-9H-purin-6-yl)-cyclopropyl-amine

Synonyms

CHEMBL7583

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)

265.31

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H15N5
IUPAC Name: 9-benzyl-N-cyclopropylpurin-6-amine
Canonical SMILES: C1CC1NC2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4
InChI: InChI=1S/C15H15N5/c1-2-4-11(5-3-1)8-20-10-18-13-14(19-12-6-7-12)16-9-17-15(13)20/h1-5,9-10,12H,6-8H2,(H,16,17,19)
InChIKey: AVSPKBDDPGPKRA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Benzodiazepine receptor binding activity of 6,9-disubstituted purines. J Med Chem. 1989 May;32(5):1020-4.