GUANINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 5Z93L87A1R
EPA CompTox DTXSID9052476

Structure

InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Smiles Nc1nc2[nH]cnc2c(=O)[nH]1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N5O
Molecular Weight 151.13
AlogP -0.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Polar Surface Area 100.45
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 88
Enzyme Transferase
- - 120-160 - 48-80
Secreted protein
- - - - 88
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - 5-5 - -
Bos taurus
- - 120-160 - -
Clostridioides difficile
- - 2 - -
Escherichia coli
- - - - 48
Homo sapiens
- - - - 80
Shigella dysenteriae
- - - - 88

Cross References

Resources Reference
ChEBI 16235
ChEMBL CHEMBL219568
DrugBank DB02377
FDA SRS 5Z93L87A1R
Human Metabolome Database HMDB0000132
Guide to Pharmacology 4556
KEGG C00242
PDB GUN
PubChem 135398634
SureChEMBL SCHEMBL5259
ZINC ZINC000000895129
CONTENTS