Details of the Drug

General Information of Drug (ID: DM852Z6)

Drug Name
(2R,3S)-3-(6-Amino-purin-9-yl)-nonan-2-ol
Synonyms 3-(6-Amino-purin-9-yl)-nonan-2-ol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 277.37
Topological Polar Surface Area (xlogp) 2.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H23N5O
IUPAC Name
(2R,3S)-3-(6-aminopurin-9-yl)nonan-2-ol
Canonical SMILES
CCCCCC[C@@H]([C@@H](C)O)N1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
InChIKey
IOSAAWHGJUZBOG-MNOVXSKESA-N
Cross-matching ID
PubChem CID
149784
ChEBI ID
CHEBI:63058
CAS Number
79813-68-6
TTD ID
D0I6XA

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 [2]
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [2]
Phosphodiesterase 2A (PDE2A) TTJGW1Z PDE2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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