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
Logarithm of the Partition Coefficient (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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN OT81JS6K WRN_HUMAN Drug Response [2]
Metallothionein-3 (MT3) OTVCZ7HI MT3_HUMAN Regulation of Drug Effects [3]
N-glycosylase/DNA lyase (OGG1) OTJ97TF3 OGG1_HUMAN Regulation of Drug Effects [4]
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 Action-at-a-distance mutagenesis induced by oxidized guanine in Werner syndrome protein-reduced human cells. Chem Res Toxicol. 2015 Apr 20;28(4):621-8. doi: 10.1021/tx500418m. Epub 2015 Mar 2.
3 Metallothionein-III prevents gamma-ray-induced 8-oxoguanine accumulation in normal and hOGG1-depleted cells. J Biol Chem. 2004 Aug 13;279(33):34138-49. doi: 10.1074/jbc.M402530200. Epub 2004 Jun 8.
4 Cardiac overexpression of 8-oxoguanine DNA glycosylase 1 protects mitochondrial DNA and reduces cardiac fibrosis following transaortic constriction. Am J Physiol Heart Circ Physiol. 2011 Nov;301(5):H2073-80. doi: 10.1152/ajpheart.00157.2011. Epub 2011 Aug 26.