Details of the Drug

General Information of Drug (ID: DMLB2W5)

Drug Name
3h-Pyrazolo[4,3-D]Pyrimidin-7-Ol
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) 136.11
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H4N4O
IUPAC Name
3,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Canonical SMILES
C1C2=C(C(=O)NC=N2)N=N1
InChI
InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)
InChIKey
OGCXIHWGXUQTCQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135403816
ChEBI ID
CHEMBL44995
CAS Number
161746-78-7
UNII
UNA9YT8PYM
DrugBank ID
DB03153
TTD ID
D06NCQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ) TTBL49X HGXR_PLAFG 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.