Details of the Drug

General Information of Drug (ID: DMIWLJE)

Drug Name
Guanine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 151.13
Topological Polar Surface Area (xlogp) -1.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H5N5O
IUPAC Name
2-amino-1,7-dihydropurin-6-one
Canonical SMILES
C1=NC2=C(N1)C(=O)NC(=N2)N
InChI
InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
UYTPUPDQBNUYGX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135398634
ChEBI ID
CHEBI:16235
CAS Number
73-40-5
DrugBank ID
DB02377
TTD ID
D08NKJ

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

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.