Details of the Drug

General Information of Drug (ID: DMBSDIV)

Drug Name

2-azido-N6-methyl-9-(beta-D-ribofuranosyl)adenine

Synonyms

CHEMBL384425; 2-azido-N6-methyl-9-(beta-D-ribofuranosyl)adenine

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)

322.28

Topological Polar Surface Area (xlogp)

0.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C11H14N8O4
IUPAC Name: (2R,3R,4S,5R)-2-[2-azido-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES: CNC1=C2C(=NC(=N1)N=[N+]=[N-])N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H14N8O4/c1-13-8-5-9(16-11(15-8)17-18-12)19(3-14-5)10-7(22)6(21)4(2-20)23-10/h3-4,6-7,10,20-22H,2H2,1H3,(H,13,15,16)/t4-,6-,7-,10-/m1/s1
InChIKey: CAQREKOGAXNCLL-KQYNXXCUSA-N

Cross-matching ID

PubChem CID: 16094571
TTD ID: D0A5KG

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 A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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