Details of the Drug

General Information of Drug (ID: DM4RS9N)

Drug Name
2,6-diamino-5-nitrosopyrimidin-4(3H)-one
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) 155.12
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H5N5O2
IUPAC Name
2,4-diamino-5-nitroso-1H-pyrimidin-6-one
Canonical SMILES
C1(=C(N=C(NC1=O)N)N)N=O
InChI
InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChIKey
HVMRLFSFHWCUCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135408762
CAS Number
2387-48-6
TTD ID
D04TLB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydropteroate synthetase (Bact folP) TT4ILYC DHPS_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structural studies of pterin-based inhibitors of dihydropteroate synthase. J Med Chem. 2010 Jan 14;53(1):166-77.