Uridine-5'a-hydroxypropanoate
| Internal ID | adfdf29c-a8ea-4af5-b519-6e9a2b83a178 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleosides |
| IUPAC Name | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-hydroxypropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H16N2O8/c1-5(15)11(19)21-4-6-8(17)9(18)10(22-6)14-3-2-7(16)13-12(14)20/h2-3,5-6,8-10,15,17-18H,4H2,1H3,(H,13,16,20)/t5?,6-,8-,9-,10-/m1/s1 |
| InChI Key | XINFXXOENODCPF-RCRMBGPTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H16N2O8 |
| Molecular Weight | 316.26 g/mol |
| Exact Mass | 316.09066547 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -2.20 |
| Atomic LogP (AlogP) | -2.92 |
| H-Bond Acceptor | 9 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 4 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.8910 | 89.10% |
| Caco-2 | - | 0.8998 | 89.98% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | - | 0.7286 | 72.86% |
| Subcellular localzation | Mitochondria | 0.6255 | 62.55% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9185 | 91.85% |
| OATP1B3 inhibitior | + | 0.9419 | 94.19% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.8777 | 87.77% |
| P-glycoprotein inhibitior | - | 0.8864 | 88.64% |
| P-glycoprotein substrate | - | 0.9309 | 93.09% |
| CYP3A4 substrate | - | 0.5000 | 50.00% |
| CYP2C9 substrate | - | 0.7977 | 79.77% |
| CYP2D6 substrate | - | 0.8810 | 88.10% |
| CYP3A4 inhibition | - | 0.8865 | 88.65% |
| CYP2C9 inhibition | - | 0.8660 | 86.60% |
| CYP2C19 inhibition | - | 0.8403 | 84.03% |
| CYP2D6 inhibition | - | 0.8962 | 89.62% |
| CYP1A2 inhibition | - | 0.9127 | 91.27% |
| CYP2C8 inhibition | - | 0.9421 | 94.21% |
| CYP inhibitory promiscuity | - | 0.8789 | 87.89% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.8500 | 85.00% |
| Carcinogenicity (trinary) | Non-required | 0.5249 | 52.49% |
| Eye corrosion | - | 0.9904 | 99.04% |
| Eye irritation | - | 0.9557 | 95.57% |
| Skin irritation | - | 0.8296 | 82.96% |
| Skin corrosion | - | 0.9547 | 95.47% |
| Ames mutagenesis | - | 0.8100 | 81.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7957 | 79.57% |
| Micronuclear | + | 0.9600 | 96.00% |
| Hepatotoxicity | + | 0.6460 | 64.60% |
| skin sensitisation | - | 0.8977 | 89.77% |
| Respiratory toxicity | + | 0.7556 | 75.56% |
| Reproductive toxicity | + | 0.9556 | 95.56% |
| Mitochondrial toxicity | + | 0.9125 | 91.25% |
| Nephrotoxicity | - | 0.8904 | 89.04% |
| Acute Oral Toxicity (c) | III | 0.6655 | 66.55% |
| Estrogen receptor binding | + | 0.5587 | 55.87% |
| Androgen receptor binding | + | 0.6806 | 68.06% |
| Thyroid receptor binding | + | 0.5906 | 59.06% |
| Glucocorticoid receptor binding | + | 0.5593 | 55.93% |
| Aromatase binding | - | 0.5325 | 53.25% |
| PPAR gamma | - | 0.5000 | 50.00% |
| Honey bee toxicity | - | 0.9217 | 92.17% |
| Biodegradation | - | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | - | 0.8600 | 86.00% |
| Fish aquatic toxicity | - | 0.4780 | 47.80% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| 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 | 99.03% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.95% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.45% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.10% | 86.92% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.83% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.95% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.47% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.71% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.05% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.90% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 54471244 |
| LOTUS | LTS0169751 |
| wikiData | Q77518007 |