Details of the Drug

General Information of Drug (ID: DMYF60K)

Drug Name
6-Hydroxymethyl-7,8-Dihydropterin
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) 195.18
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H9N5O2
IUPAC Name
2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one
Canonical SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)CO
InChI
InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
InChIKey
CQQNNQTXUGLUEV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135398568
ChEBI ID
CHEBI:17083
CAS Number
3672-03-5
DrugBank ID
DB02119
TTD ID
D0W0NE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydroneopterinaldolase (Bact folB) TTG9CFY FOLB_ECOLI Inhibitor [1]
Bacterial Hydroxymethyl-dihydropterin pyrophosphokinase (Bact folK) TT38ECI HPPK_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.