Details of the Drug

General Information of Drug (ID: DM6CZAN)

Drug Name

2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine

Synonyms

CHEMBL19970; 2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine; ZINC13821060; BDBM50011595

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)

252.31

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H16N4
IUPAC Name: 2-cyclopentyl-3H-imidazo[4,5-c]quinolin-4-amine
Canonical SMILES: C1CCC(C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)N
InChI: InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)
InChIKey: KPONPDGMNFNBFA-UHFFFAOYSA-N

Cross-matching ID

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]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	1H-imidazo[4,5-c]quinolin-4-amines: novel non-xanthine adenosine antagonists. J Med Chem. 1991 Mar;34(3):1202-6.