UDP-4-Amino-4-deoxy-beta-L-arabinopyranose
| Internal ID | 5deb80d9-c49b-4b51-887e-a555c72acd87 |
| Taxonomy | Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine ribonucleotides > Pyrimidine ribonucleoside diphosphates |
| IUPAC Name | [(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate |
| SMILES (Canonical) | C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)N |
| SMILES (Isomeric) | C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N |
| InChI | InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1 |
| InChI Key | GWBAKYBSWHQNMQ-IAZOVDBXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H23N3O15P2 |
| Molecular Weight | 535.29 g/mol |
| Exact Mass | 535.06044103 g/mol |
| Topological Polar Surface Area (TPSA) | 277.00 Ų |
| XlogP | -9.10 |
| Atomic LogP (AlogP) | -4.19 |
| H-Bond Acceptor | 15 |
| H-Bond Donor | 8 |
| Rotatable Bonds | 8 |
| UDP-beta-L-Ara4N |
| UDP-L-Ara4N |
| UDP-4-amino-4-deoxy-L-arabinose |
| uridine 5'-[3-(4-amino-4-deoxy-beta-L-arabinopyranosyl) dihydrogen diphosphate] |
| (2r,3r,4s,5s)-5-Amino-3,4-Dihydroxytetrahydro-2h-Pyran-2-Yl [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate |
| CHEBI:47025 |
| DTXSID701343903 |
| Q27120762 |
| (2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
| [(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.8523 | 85.23% |
| Caco-2 | - | 0.8999 | 89.99% |
| Blood Brain Barrier | - | 0.7500 | 75.00% |
| Human oral bioavailability | - | 0.7000 | 70.00% |
| Subcellular localzation | Nucleus | 0.4095 | 40.95% |
| OATP2B1 inhibitior | - | 0.8585 | 85.85% |
| OATP1B1 inhibitior | + | 0.9352 | 93.52% |
| OATP1B3 inhibitior | + | 0.9412 | 94.12% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.9567 | 95.67% |
| BSEP inhibitior | - | 0.5096 | 50.96% |
| P-glycoprotein inhibitior | - | 0.5706 | 57.06% |
| P-glycoprotein substrate | - | 0.6830 | 68.30% |
| CYP3A4 substrate | + | 0.6284 | 62.84% |
| CYP2C9 substrate | - | 0.5961 | 59.61% |
| CYP2D6 substrate | - | 0.8497 | 84.97% |
| CYP3A4 inhibition | - | 0.6343 | 63.43% |
| CYP2C9 inhibition | - | 0.8745 | 87.45% |
| CYP2C19 inhibition | - | 0.8337 | 83.37% |
| CYP2D6 inhibition | - | 0.8686 | 86.86% |
| CYP1A2 inhibition | - | 0.8914 | 89.14% |
| CYP2C8 inhibition | - | 0.6622 | 66.22% |
| CYP inhibitory promiscuity | - | 0.8675 | 86.75% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.8900 | 89.00% |
| Carcinogenicity (trinary) | Non-required | 0.4760 | 47.60% |
| Eye corrosion | - | 0.9839 | 98.39% |
| Eye irritation | - | 0.9517 | 95.17% |
| Skin irritation | - | 0.7857 | 78.57% |
| Skin corrosion | - | 0.9310 | 93.10% |
| Ames mutagenesis | - | 0.5300 | 53.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3797 | 37.97% |
| Micronuclear | + | 0.9700 | 97.00% |
| Hepatotoxicity | + | 0.6338 | 63.38% |
| skin sensitisation | - | 0.8556 | 85.56% |
| Respiratory toxicity | + | 0.8111 | 81.11% |
| Reproductive toxicity | + | 0.9889 | 98.89% |
| Mitochondrial toxicity | + | 0.9375 | 93.75% |
| Nephrotoxicity | - | 0.8961 | 89.61% |
| Acute Oral Toxicity (c) | III | 0.5423 | 54.23% |
| Estrogen receptor binding | + | 0.6394 | 63.94% |
| Androgen receptor binding | + | 0.7611 | 76.11% |
| Thyroid receptor binding | - | 0.5186 | 51.86% |
| Glucocorticoid receptor binding | - | 0.4802 | 48.02% |
| Aromatase binding | + | 0.5584 | 55.84% |
| PPAR gamma | + | 0.6411 | 64.11% |
| Honey bee toxicity | - | 0.6625 | 66.25% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.6400 | 64.00% |
| Fish aquatic toxicity | - | 0.5162 | 51.62% |
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 | 98.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.53% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.29% | 95.93% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 93.19% | 80.33% |
| CHEMBL2123 | P51582 | Pyrimidinergic receptor P2Y4 | 92.99% | 93.39% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.68% | 98.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 88.60% | 94.01% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 86.87% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.44% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.92% | 86.92% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 84.58% | 97.78% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.97% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.67% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.31% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.50% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.12% | 95.56% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.81% | 80.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.68% | 94.00% |
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 | 17756769 |
| LOTUS | LTS0120848 |
| wikiData | Q27120762 |