Ara-utp

Details

• Internal ID: dcc64498-f63c-4b15-9c5d-364294622c30
• Taxonomy: Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside triphosphates
• IUPAC Name: [[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• SMILES (Canonical): C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
• SMILES (Isomeric): C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
• InChI: InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)
• InChI Key: PGAVKCOVUIYSFO-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₅N₂O₁₅P₃
• Molecular Weight: 484.14 g/mol
• Exact Mass: 483.96852877 g/mol
• Topological Polar Surface Area (TPSA): 259.00 Ų
• XlogP: -5.80

Synonyms

• 60102-52-5
• NSC-20260
• Uridine, trisodium salt
• Uridine triphosphate (UTP)
• SCHEMBL1651861
• DTXSID80859053
• HMS3746O21
• [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• NSC20260
• BDBM50023910
• AKOS037647153
• AS-72610
• 5-azidouridine-5''-triphosphate derivative
• FT-0631282
• L000619
• ({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
• ({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• [[(2S,5S)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• 1-(3,4-dihydroxy-5-triphosphoryloxymethyltetrahydro-2-furanyl)-1,2,3,4-tetrahydro-2,4-pyrimidinedione
• 1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]pyrimidine-2,4(1H,3H)-dione

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2123	P51582	Pyrimidinergic receptor P2Y4	39 nM	EC50	via Super-PRED
CHEMBL4714	Q15077	Pyrimidinergic receptor P2Y6	424 nM	EC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.94%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	94.55%	95.93%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	92.75%	80.33%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.48%	86.92%
CHEMBL2581	P07339	Cathepsin D	89.35%	98.95%
CHEMBL5957	P21589	5'-nucleotidase	87.38%	97.78%
CHEMBL3401	O75469	Pregnane X receptor	87.37%	94.73%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	86.86%	94.01%
CHEMBL255	P29275	Adenosine A2b receptor	84.31%	98.59%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.96%	94.00%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	82.85%	92.38%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.81%	89.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.50%	91.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.10%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.18%	99.23%

Plants that contains it

• Helianthus tuberosus

Cross-Links

• PubChem: 1181
• LOTUS: LTS0203773
• wikiData: Q105208274