GUANINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5Z93L87A1R

Structure
InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
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
- 11500 - - 88
Enzyme Transferase
- 5000 120-3300 5000 48
Secreted protein
- 11500 - - 88

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Astrocytoma 2 D001254 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Oligodendroglioma 2 D009837 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 1 D016410 ClinicalTrials
Sezary Syndrome 1 D012751 ClinicalTrials
Mycosis Fungoides 1 D009182 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 16235
ChEMBL CHEMBL219568
DrugBank DB02377
EPA CompTox DTXSID9052476
FDA SRS 5Z93L87A1R
Human Metabolome Database HMDB0000132
Guide to Pharmacology 4556
KEGG C00242
PDB GUN
PubChem 135398634
SureChEMBL SCHEMBL5259
ZINC ZINC000000895129
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