Streptophenazine B
| Internal ID | 8d7f8910-b79b-4ebe-bab0-92c4de202805 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | methyl 6-(3-hydroxy-1-methoxy-1-oxononan-2-yl)phenazine-1-carboxylate |
| SMILES (Canonical) | CCCCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| SMILES (Isomeric) | CCCCCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| InChI | InChI=1S/C24H28N2O5/c1-4-5-6-7-14-19(27)20(24(29)31-3)15-10-8-12-17-21(15)25-18-13-9-11-16(22(18)26-17)23(28)30-2/h8-13,19-20,27H,4-7,14H2,1-3H3 |
| InChI Key | SOKLNJHTUUKGKZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H28N2O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 98.60 Ų |
| XlogP | 4.60 |
| Atomic LogP (AlogP) | 4.16 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 9 |
| methyl 6-(3-hydroxy-1-methoxy-1-oxononan-2-yl)phenazine-1-carboxylate |
| RefChem:185958 |
| Methyl 6-(3-hydroxy-1-methoxy-1-oxononan-2-yl)phenazine-1-carboxylic acid |
| 1018439-64-9 |
| CHEMBL467554 |
| SCHEMBL29884267 |
| CHEBI:198171 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9707 | 97.07% |
| Caco-2 | - | 0.7278 | 72.78% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | - | 0.7000 | 70.00% |
| Subcellular localzation | Mitochondria | 0.6994 | 69.94% |
| OATP2B1 inhibitior | - | 0.8557 | 85.57% |
| OATP1B1 inhibitior | + | 0.9334 | 93.34% |
| OATP1B3 inhibitior | + | 0.9064 | 90.64% |
| MATE1 inhibitior | - | 0.8200 | 82.00% |
| OCT2 inhibitior | - | 0.7250 | 72.50% |
| BSEP inhibitior | + | 0.9552 | 95.52% |
| P-glycoprotein inhibitior | + | 0.8529 | 85.29% |
| P-glycoprotein substrate | + | 0.5137 | 51.37% |
| CYP3A4 substrate | + | 0.6152 | 61.52% |
| CYP2C9 substrate | - | 0.7842 | 78.42% |
| CYP2D6 substrate | - | 0.8711 | 87.11% |
| CYP3A4 inhibition | - | 0.8142 | 81.42% |
| CYP2C9 inhibition | - | 0.7690 | 76.90% |
| CYP2C19 inhibition | - | 0.8018 | 80.18% |
| CYP2D6 inhibition | - | 0.9151 | 91.51% |
| CYP1A2 inhibition | - | 0.6462 | 64.62% |
| CYP2C8 inhibition | + | 0.6403 | 64.03% |
| CYP inhibitory promiscuity | - | 0.8562 | 85.62% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.9600 | 96.00% |
| Carcinogenicity (trinary) | Non-required | 0.6946 | 69.46% |
| Eye corrosion | - | 0.9891 | 98.91% |
| Eye irritation | - | 0.9599 | 95.99% |
| Skin irritation | - | 0.8137 | 81.37% |
| Skin corrosion | - | 0.9466 | 94.66% |
| Ames mutagenesis | - | 0.6900 | 69.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5000 | 50.00% |
| Micronuclear | - | 0.5300 | 53.00% |
| Hepatotoxicity | - | 0.5289 | 52.89% |
| skin sensitisation | - | 0.9078 | 90.78% |
| Respiratory toxicity | - | 0.6222 | 62.22% |
| Reproductive toxicity | + | 0.7778 | 77.78% |
| Mitochondrial toxicity | + | 0.8625 | 86.25% |
| Nephrotoxicity | + | 0.5216 | 52.16% |
| Acute Oral Toxicity (c) | III | 0.6227 | 62.27% |
| Estrogen receptor binding | + | 0.6490 | 64.90% |
| Androgen receptor binding | + | 0.7499 | 74.99% |
| Thyroid receptor binding | - | 0.5522 | 55.22% |
| Glucocorticoid receptor binding | + | 0.6922 | 69.22% |
| Aromatase binding | - | 0.5467 | 54.67% |
| PPAR gamma | + | 0.5436 | 54.36% |
| Honey bee toxicity | - | 0.9429 | 94.29% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | + | 0.6434 | 64.34% |
| Fish aquatic toxicity | + | 0.9013 | 90.13% |
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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.24% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.36% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.39% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.15% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.98% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.44% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.84% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.37% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.77% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.76% | 95.50% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 89.29% | 91.65% |
| CHEMBL3891 | P07384 | Calpain 1 | 88.87% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.07% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.60% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.80% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.53% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.50% | 91.49% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 83.83% | 95.39% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 80.97% | 91.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 24879154 |
| LOTUS | LTS0123107 |
| wikiData | Q75058572 |