Details of the Drug

General Information of Drug (ID: DMT9BPN)

Drug Name
8-hydroxyguanine
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) 167.13
Topological Polar Surface Area (xlogp) -2.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H5N5O2
IUPAC Name
2-amino-7,9-dihydro-1H-purine-6,8-dione
Canonical SMILES
C12=C(NC(=O)N1)N=C(NC2=O)N
InChI
InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKey
CLGFIVUFZRGQRP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135420630
ChEBI ID
CHEBI:52617
CAS Number
5614-64-2
TTD ID
D07FSW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GTP cyclohydrolase-I (GCH1) TTLSWP6 GCH1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GTP cyclohydrolase-I (GCH1) DTT GCH1 3.38E-02 -1.59 -1.53
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 GTP cyclohydrolase I feedback regulatory protein-dependent and -independent inhibitors of GTP cyclohydrolase I. Arch Biochem Biophys. 2001 Apr 1;388(1):67-73.
2 Clinical pipeline report, company report or official report of Oxford BioMedica.
3 Clinical pipeline report, company report or official report of Oxford BioMedica.
4 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
5 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.