Details of the Drug

General Information of Drug (ID: DM1F7I5)

Drug Name

Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine

Synonyms

CHEMBL321753; Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine; BDBM50009690

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)

245.32

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H19N5
IUPAC Name: N-cyclohexyl-9-ethylpurin-6-amine
Canonical SMILES: CCN1C=NC2=C(N=CN=C21)NC3CCCCC3
InChI: InChI=1S/C13H19N5/c1-2-18-9-16-11-12(14-8-15-13(11)18)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKey: ZKBBSCAFNVXZSZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	N6,9-disubstituted adenines: potent, selective antagonists at the A1 adenosine receptor. J Med Chem. 1991 Sep;34(9):2877-82.