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
UNII
B46L5LR2XM
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.