Details of the Drug

General Information of Drug (ID: DM9DHNZ)

Drug Name

Cyclopentyl-(9-methyl-9H-purin-6-yl)-amine

Synonyms

N6-Cyclopentyl-9-methyladenine; N(6)-Cyclopentyl-9-methyladenine; N-0840; n-cyclopentyl-9-methyl-9h-purin-6-amine; CHEMBL48278; 109292-91-3; Lopac-N-154; 9H-Purin-6-amine,N-cyclopentyl-9-methyl-; AC1Q4XZM; Cyclopentyl-(9-methyl-9H-purin-6-yl)-amine; Lopac0_000921; ZINC5203; SCHEMBL1322040; AC1L1I31; DTXSID60148871; LZMRVYPPUVMKOI-UHFFFAOYSA-N; N6 -Cyclopentyl-9-Methyl Adenine; N-cyclopentyl-9-methylpurin-6-amine; n0840; BDBM50009698; CCG-205003; NCGC00094232-01; NCGC00015717-03; NCGC00094232-03; NCGC00015717-02; NCGC00015717-01

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)

217.27

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H15N5
IUPAC Name: N-cyclopentyl-9-methylpurin-6-amine
Canonical SMILES: CN1C=NC2=C(N=CN=C21)NC3CCCC3
InChI: InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKey: LZMRVYPPUVMKOI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4401
CAS Number: 109292-91-3
TTD ID: D01EHP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.