1-(alpha-d-Arabinofuranosyl)uracil

Details

• Internal ID: b8968709-668a-4d2f-87ab-06d62190abc5
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides
• IUPAC Name: 1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• SMILES (Canonical): C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
• SMILES (Isomeric): C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
• InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8+/m1/s1
• InChI Key: DRTQHJPVMGBUCF-GVYWOMJSSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂N₂O₆
• Molecular Weight: 244.20 g/mol
• Exact Mass: 244.06953611 g/mol
• Topological Polar Surface Area (TPSA): 119.00 Ų
• XlogP: -2.00

Synonyms

• 1-(alpha-d-arabinofuranosyl)uracil
• TNP00243
• NCGC00017312-01

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.41%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	93.47%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	92.94%	95.93%
CHEMBL2581	P07339	Cathepsin D	92.85%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.17%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.88%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.44%	91.11%
CHEMBL2123	P51582	Pyrimidinergic receptor P2Y4	82.79%	93.39%
CHEMBL255	P29275	Adenosine A2b receptor	81.49%	98.59%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.99%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.72%	97.09%

Plants that contains it

• Lepisorus contortus

Cross-Links

• PubChem: 6604651
• LOTUS: LTS0256545
• wikiData: Q104987636