Details of the Drug

General Information of Drug (ID: DMDC6XP)

Drug Name

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

Synonyms

CHEMBL276138; 2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine; ZINC13821064; BDBM50011597

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)

260.29

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: C16H12N4
IUPAC Name: 2-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)N
InChI: InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)
InChIKey: IBRIUJBAFMFSDF-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.