Details of the Drug

General Information of Drug (ID: DM7EWDN)

Drug Name
6-Hydroxymethylpterin
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) 193.16
Logarithm of the Partition Coefficient (xlogp) -2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H7N5O2
IUPAC Name
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
Canonical SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)CO
InChI
InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKey
XGWIBNWDLMIPNF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135415975
ChEBI ID
CHEMBL101541
CAS Number
712-29-8
UNII
7O0I7Z5A0Y
DrugBank ID
DB03197
TTD ID
D02UKY
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
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 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.