Details of the Drug

General Information of Drug (ID: DM98IOX)

Drug Name
Pterin-6-Yl-Methyl-Monophosphate
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): 1 Molecular Weight (mw) 273.14
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C7H8N5O5P
IUPAC Name
(2-amino-4-oxo-3H-pteridin-6-yl)methyl dihydrogen phosphate
Canonical SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)COP(=O)(O)O
InChI
InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)
InChIKey
AJXFJEHKGGCFNM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135451578
DrugBank ID
DB03592
TTD ID
D0YX4U

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