Details of the Drug

General Information of Drug (ID: DM4FSTL)

Drug Name
(1H-Imidazo[4,5-c]quinolin-4-yl)-phenyl-amine HCl
Synonyms CHEMBL19533; BDBM50011598; ZINC13821052; 4-Phenylamino-1H-imidazo[4,5-c]quinoline
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
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) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H12N4
IUPAC Name
N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
Canonical SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2NC=N4
InChI
InChI=1S/C16H12N4/c1-2-6-11(7-3-1)19-16-15-14(17-10-18-15)12-8-4-5-9-13(12)20-16/h1-10H,(H,17,18)(H,19,20)
InChIKey
BWQWMNKFCIJEBY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14896611
TTD ID
D0VB6X

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]
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.