Streptophenazine K
| Internal ID | c5de20bc-f86c-434e-bafb-95857c8b7fdd |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | methyl 6-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-9-methyldecyl]phenazine-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34N2O5/c1-17(2)11-7-5-6-8-12-20(27(32)34-4)25(30)18-13-9-15-21-23(18)28-22-16-10-14-19(24(22)29-21)26(31)33-3/h9-10,13-17,20,25,30H,5-8,11-12H2,1-4H3/t20-,25-/m1/s1 |
| InChI Key | DQBJQIJYPPAUEG-CJFMBICVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34N2O5 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.24677219 g/mol |
| Topological Polar Surface Area (TPSA) | 98.60 Ų |
| XlogP | 5.90 |
| Atomic LogP (AlogP) | 5.39 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 11 |
| 1802331-40-3 |
| methyl 6-[(1S,2R)-1-hydroxy-2-methoxycarbonyl-9-methyldecyl]phenazine-1-carboxylate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9427 | 94.27% |
| Caco-2 | - | 0.6476 | 64.76% |
| Blood Brain Barrier | + | 0.7000 | 70.00% |
| Human oral bioavailability | - | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.8071 | 80.71% |
| OATP2B1 inhibitior | - | 0.8514 | 85.14% |
| OATP1B1 inhibitior | + | 0.9445 | 94.45% |
| OATP1B3 inhibitior | + | 0.9032 | 90.32% |
| MATE1 inhibitior | - | 0.8200 | 82.00% |
| OCT2 inhibitior | - | 0.7250 | 72.50% |
| BSEP inhibitior | + | 0.9867 | 98.67% |
| P-glycoprotein inhibitior | + | 0.8917 | 89.17% |
| P-glycoprotein substrate | + | 0.5636 | 56.36% |
| CYP3A4 substrate | + | 0.6357 | 63.57% |
| CYP2C9 substrate | - | 0.7842 | 78.42% |
| CYP2D6 substrate | - | 0.8711 | 87.11% |
| CYP3A4 inhibition | - | 0.8501 | 85.01% |
| CYP2C9 inhibition | - | 0.7522 | 75.22% |
| CYP2C19 inhibition | - | 0.7521 | 75.21% |
| CYP2D6 inhibition | - | 0.9069 | 90.69% |
| CYP1A2 inhibition | - | 0.6138 | 61.38% |
| CYP2C8 inhibition | + | 0.5277 | 52.77% |
| CYP inhibitory promiscuity | - | 0.8413 | 84.13% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.9700 | 97.00% |
| Carcinogenicity (trinary) | Non-required | 0.7004 | 70.04% |
| Eye corrosion | - | 0.9885 | 98.85% |
| Eye irritation | - | 0.9595 | 95.95% |
| Skin irritation | - | 0.8227 | 82.27% |
| Skin corrosion | - | 0.9563 | 95.63% |
| Ames mutagenesis | - | 0.6300 | 63.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3982 | 39.82% |
| Micronuclear | - | 0.5500 | 55.00% |
| Hepatotoxicity | + | 0.5375 | 53.75% |
| skin sensitisation | - | 0.8930 | 89.30% |
| Respiratory toxicity | - | 0.5333 | 53.33% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.7375 | 73.75% |
| Nephrotoxicity | - | 0.6147 | 61.47% |
| Acute Oral Toxicity (c) | III | 0.6715 | 67.15% |
| Estrogen receptor binding | + | 0.6805 | 68.05% |
| Androgen receptor binding | + | 0.7076 | 70.76% |
| Thyroid receptor binding | + | 0.5172 | 51.72% |
| Glucocorticoid receptor binding | + | 0.6668 | 66.68% |
| Aromatase binding | - | 0.5191 | 51.91% |
| PPAR gamma | + | 0.6048 | 60.48% |
| Honey bee toxicity | - | 0.9371 | 93.71% |
| Biodegradation | - | 0.8500 | 85.00% |
| Crustacea aquatic toxicity | - | 0.6463 | 64.63% |
| Fish aquatic toxicity | + | 0.9606 | 96.06% |
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 | 98.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.00% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.44% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.89% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.42% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.95% | 86.33% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 89.93% | 91.65% |
| CHEMBL3891 | P07384 | Calpain 1 | 88.08% | 93.04% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.32% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.04% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.95% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.39% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.17% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.05% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.01% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.14% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.74% | 97.50% |
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 | 139585291 |
| LOTUS | LTS0156096 |
| wikiData | Q77419656 |