XAN
XANTHINE
Find entries where: XAN
is present as a standalone ligand in 22 entries
is present in a polymer sequence 1 entries
Chemical Component Summary | |
|---|---|
| Name | XANTHINE |
| Identifiers | 3,9-dihydropurine-2,6-dione |
| Formula | C5 H4 N4 O2 |
| Molecular Weight | 152.111 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1[nH]c2c(n1)C(=O)NC(=O)N2 |
| InChI | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) |
| InChIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 10 |
Drug Info: DrugBank
| DrugBank ID | DB02134? |
|---|---|
| Name | Xanthine |
| Groups | experimental |
| Description | A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed) |
| Synonyms | Xanthine |
| Categories |
|
| CAS number | 69-89-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Purine nucleoside phosphorylase 2 | MSQVQFSHNPLFCIDIIKTYKPDFTPRVAFILGSGLGALADQIENAVAIS... | unknown | |
| Xanthine phosphoribosyltransferase | MSEKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLAREL... | unknown | |
| Cytochrome P450 1A2 | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL... | unknown | substrate |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 1188, 5280342 |
| ChEMBL | CHEMBL1424 |
| ChEBI | CHEBI:48517, CHEBI:17712 |
| CCDC/CSD | YADJEU, VURMUR, YADJAQ, JULXUJ, WEGSEK |
