Streptcytosine F
| Internal ID | 476e0602-2735-4f5c-9e73-c403d8825f21 |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydroxypyrimidines |
| IUPAC Name | 3-hydroxy-N-[1-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide |
| SMILES (Canonical) | CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)CC(C)(C)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)CC(C)(C)O)O |
| InChI | InChI=1S/C15H23N3O5/c1-9-10(19)4-5-13(23-9)18-7-6-11(17-14(18)21)16-12(20)8-15(2,3)22/h6-7,9-10,13,19,22H,4-5,8H2,1-3H3,(H,16,17,20,21)/t9-,10+,13-/m1/s1 |
| InChI Key | KZIVLOCYNGPYSP-GBIKHYSHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H23N3O5 |
| Molecular Weight | 325.36 g/mol |
| Exact Mass | 325.16377084 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.30 |
| Atomic LogP (AlogP) | 0.40 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 4 |
| 3-hydroxy-N-[1-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide |
| 3-hydroxy-N-(1-((2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl)-3-methylbutanamide |
| RefChem:185878 |
| CHEMBL4517138 |
| CHEBI:225259 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9583 | 95.83% |
| Caco-2 | - | 0.7940 | 79.40% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | + | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.3619 | 36.19% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9205 | 92.05% |
| OATP1B3 inhibitior | + | 0.9310 | 93.10% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.7888 | 78.88% |
| BSEP inhibitior | - | 0.9552 | 95.52% |
| P-glycoprotein inhibitior | - | 0.8913 | 89.13% |
| P-glycoprotein substrate | - | 0.6833 | 68.33% |
| CYP3A4 substrate | + | 0.5798 | 57.98% |
| CYP2C9 substrate | - | 0.5959 | 59.59% |
| CYP2D6 substrate | - | 0.8810 | 88.10% |
| CYP3A4 inhibition | - | 0.7405 | 74.05% |
| CYP2C9 inhibition | - | 0.6446 | 64.46% |
| CYP2C19 inhibition | - | 0.6124 | 61.24% |
| CYP2D6 inhibition | - | 0.9040 | 90.40% |
| CYP1A2 inhibition | - | 0.8363 | 83.63% |
| CYP2C8 inhibition | - | 0.8183 | 81.83% |
| CYP inhibitory promiscuity | - | 0.7693 | 76.93% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.7400 | 74.00% |
| Carcinogenicity (trinary) | Non-required | 0.6139 | 61.39% |
| Eye corrosion | - | 0.9854 | 98.54% |
| Eye irritation | - | 0.9870 | 98.70% |
| Skin irritation | - | 0.7920 | 79.20% |
| Skin corrosion | - | 0.9257 | 92.57% |
| Ames mutagenesis | - | 0.6531 | 65.31% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7750 | 77.50% |
| Micronuclear | + | 0.8600 | 86.00% |
| Hepatotoxicity | + | 0.6093 | 60.93% |
| skin sensitisation | - | 0.8682 | 86.82% |
| Respiratory toxicity | + | 0.8444 | 84.44% |
| Reproductive toxicity | + | 0.8556 | 85.56% |
| Mitochondrial toxicity | + | 0.8500 | 85.00% |
| Nephrotoxicity | + | 0.5629 | 56.29% |
| Acute Oral Toxicity (c) | III | 0.6857 | 68.57% |
| Estrogen receptor binding | + | 0.5493 | 54.93% |
| Androgen receptor binding | + | 0.6538 | 65.38% |
| Thyroid receptor binding | + | 0.6894 | 68.94% |
| Glucocorticoid receptor binding | + | 0.6546 | 65.46% |
| Aromatase binding | + | 0.7017 | 70.17% |
| PPAR gamma | - | 0.5593 | 55.93% |
| Honey bee toxicity | - | 0.9645 | 96.45% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.5800 | 58.00% |
| Fish aquatic toxicity | + | 0.6905 | 69.05% |
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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.60% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.73% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.64% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.05% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.62% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.34% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.33% | 89.00% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 83.92% | 98.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.45% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.79% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.28% | 94.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.38% | 94.50% |
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 | 145721207 |
| LOTUS | LTS0176544 |
| wikiData | Q105148180 |