Details of the Drug

General Information of Drug (ID: DM9MIC5)

Drug Name

2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine

Synonyms

CHEMBL106346; 2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine; BDBM50091144; 2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine

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)

274.32

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H14N4
IUPAC Name: 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
Canonical SMILES: CC1=CC=C(C=C1)N2C=C3C4=CC=CC=C4N=C(C3=N2)N
InChI: InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
InChIKey: XVEJYBYRDZTECS-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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New 2-arylpyrazolo[3,4-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluati... J Med Chem. 2007 Aug 23;50(17):4061-74.