Details of the Drug

General Information of Drug (ID: DMHQ467)

Drug Name

3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol

Synonyms

CHEMBL198760; 3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol; BDBM50171758; 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one

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)

250.29

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14N2O
IUPAC Name: 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one
Canonical SMILES: CC1=NC2=C(C=C1)C(=O)C(=CN2)CC3=CC=CC=C3
InChI: InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKey: QRUPNIJLOWMQBO-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	1,8-Naphthyridin-4-one derivatives as new ligands of A2A adenosine receptors. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4604-10.