Details of the Drug

General Information of Drug (ID: DMURTHE)

Drug Name

5-Azido-6-benzyl-2-methyl-[1,8]naphthyridine

Synonyms

CHEMBL194401; 5-Azido-6-benzyl-2-methyl-[1,8]naphthyridine

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)

275.31

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H13N5
IUPAC Name: 5-azido-6-benzyl-2-methyl-1,8-naphthyridine
Canonical SMILES: CC1=NC2=NC=C(C(=C2C=C1)N=[N+]=[N-])CC3=CC=CC=C3
InChI: InChI=1S/C16H13N5/c1-11-7-8-14-15(20-21-17)13(10-18-16(14)19-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKey: GFTOIPQCHLKALF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
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.