Details of the Drug

General Information of Drug (ID: DMUD1CG)

Drug Name
6-Hydroxy-1,6-Dihydro Purine Nucleoside
Synonyms 6-Hydroxy-1,6-Dihydro Purine Nucleoside; PRH; AC1NRCV9; DB03015; (6S)-6-hydroxy-9-beta-D-ribofuranosyl-6,9-dihydro-1H-purin-7-ium
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): 2 Molecular Weight (mw) 271.25
Logarithm of the Partition Coefficient (xlogp) -2.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H15N4O5+
IUPAC Name
(2R,3R,4S,5R)-2-[(6S)-6-hydroxy-6,7-dihydro-3H-purin-9-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES
C1=N[C@H](C2=C(N1)[N+](=CN2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1
InChIKey
WGRXVKRHIMUTPD-YOHZANMFSA-O
Cross-matching ID
PubChem CID
5289205
DrugBank ID
DB03015
TTD ID
D06EHE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine deaminase (ADA) TTLP57V ADA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.