Streptcytosine L
| Internal ID | cb7f9cdb-07bb-462d-b602-f389b77455b4 |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydroxypyrimidines |
| IUPAC Name | N-[1-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-methylpent-3-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H23N3O4/c1-10(2)4-6-14(21)17-13-8-9-19(16(22)18-13)15-7-5-12(20)11(3)23-15/h4,8-9,11-12,15,20H,5-7H2,1-3H3,(H,17,18,21,22)/t11-,12+,15-/m1/s1 |
| InChI Key | VKIZUBUJNUDRII-TYNCELHUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H23N3O4 |
| Molecular Weight | 321.37 g/mol |
| Exact Mass | 321.16885622 g/mol |
| Topological Polar Surface Area (TPSA) | 91.20 Ų |
| XlogP | 1.50 |
| Atomic LogP (AlogP) | 1.60 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 4 |
| N-[1-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-methylpent-3-enamide |
| N-(1-((2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl)-4-methylpent-3-enamide |
| RefChem:185884 |
| CHEMBL4541396 |
| CHEBI:225285 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9833 | 98.33% |
| Caco-2 | - | 0.7981 | 79.81% |
| Blood Brain Barrier | + | 0.6750 | 67.50% |
| Human oral bioavailability | - | 0.5857 | 58.57% |
| Subcellular localzation | Mitochondria | 0.4809 | 48.09% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9232 | 92.32% |
| OATP1B3 inhibitior | + | 0.9285 | 92.85% |
| MATE1 inhibitior | - | 0.9254 | 92.54% |
| OCT2 inhibitior | - | 0.7888 | 78.88% |
| BSEP inhibitior | - | 0.8446 | 84.46% |
| P-glycoprotein inhibitior | - | 0.7640 | 76.40% |
| P-glycoprotein substrate | - | 0.7148 | 71.48% |
| CYP3A4 substrate | + | 0.5664 | 56.64% |
| CYP2C9 substrate | - | 0.5959 | 59.59% |
| CYP2D6 substrate | - | 0.8780 | 87.80% |
| CYP3A4 inhibition | - | 0.5940 | 59.40% |
| CYP2C9 inhibition | - | 0.5143 | 51.43% |
| CYP2C19 inhibition | - | 0.5974 | 59.74% |
| CYP2D6 inhibition | - | 0.8906 | 89.06% |
| CYP1A2 inhibition | - | 0.7920 | 79.20% |
| CYP2C8 inhibition | - | 0.8587 | 85.87% |
| CYP inhibitory promiscuity | - | 0.7010 | 70.10% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.7100 | 71.00% |
| Carcinogenicity (trinary) | Non-required | 0.5689 | 56.89% |
| Eye corrosion | - | 0.9851 | 98.51% |
| Eye irritation | - | 0.9892 | 98.92% |
| Skin irritation | - | 0.7825 | 78.25% |
| Skin corrosion | - | 0.9302 | 93.02% |
| Ames mutagenesis | - | 0.6339 | 63.39% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5797 | 57.97% |
| Micronuclear | + | 0.8600 | 86.00% |
| Hepatotoxicity | + | 0.6848 | 68.48% |
| skin sensitisation | - | 0.8704 | 87.04% |
| Respiratory toxicity | + | 0.8333 | 83.33% |
| Reproductive toxicity | + | 0.8889 | 88.89% |
| Mitochondrial toxicity | + | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.6915 | 69.15% |
| Acute Oral Toxicity (c) | III | 0.6896 | 68.96% |
| Estrogen receptor binding | + | 0.5708 | 57.08% |
| Androgen receptor binding | + | 0.7305 | 73.05% |
| Thyroid receptor binding | + | 0.5239 | 52.39% |
| Glucocorticoid receptor binding | + | 0.7177 | 71.77% |
| Aromatase binding | + | 0.7201 | 72.01% |
| PPAR gamma | + | 0.5575 | 55.75% |
| Honey bee toxicity | - | 0.9574 | 95.74% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | - | 0.6600 | 66.00% |
| Fish aquatic toxicity | + | 0.7955 | 79.55% |
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.66% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.62% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.98% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.70% | 93.10% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.67% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.96% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.92% | 90.71% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 84.11% | 98.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.92% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.46% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.33% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.20% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.90% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.36% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.96% | 96.39% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.90% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.42% | 95.83% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 145721212 |
| LOTUS | LTS0040079 |
| wikiData | Q105287795 |