Streptophenazine A
| Internal ID | 8ebaf75a-e0b6-4f4f-a0b3-790d0ffcc85b |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate |
| SMILES (Canonical) | CC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| SMILES (Isomeric) | CC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| InChI | InChI=1S/C24H28N2O5/c1-14(2)8-5-13-19(27)20(24(29)31-4)15-9-6-11-17-21(15)25-18-12-7-10-16(22(18)26-17)23(28)30-3/h6-7,9-12,14,19-20,27H,5,8,13H2,1-4H3 |
| InChI Key | YNVFQWRFLIXGIL-UHFFFAOYSA-N |
| Popularity | 4 references 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 | 4.30 |
| Atomic LogP (AlogP) | 4.01 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 8 |
| methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate |
| RefChem:185957 |
| 1018439-63-8 |
| CHEMBL468584 |
| SCHEMBL29884552 |
| CHEBI:220974 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9489 | 94.89% |
| Caco-2 | - | 0.6265 | 62.65% |
| Blood Brain Barrier | + | 0.6250 | 62.50% |
| Human oral bioavailability | + | 0.5143 | 51.43% |
| Subcellular localzation | Mitochondria | 0.7571 | 75.71% |
| OATP2B1 inhibitior | - | 0.8545 | 85.45% |
| OATP1B1 inhibitior | + | 0.9465 | 94.65% |
| OATP1B3 inhibitior | + | 0.9171 | 91.71% |
| MATE1 inhibitior | - | 0.8200 | 82.00% |
| OCT2 inhibitior | - | 0.7500 | 75.00% |
| BSEP inhibitior | + | 0.9176 | 91.76% |
| P-glycoprotein inhibitior | + | 0.8452 | 84.52% |
| P-glycoprotein substrate | + | 0.5163 | 51.63% |
| CYP3A4 substrate | + | 0.6024 | 60.24% |
| CYP2C9 substrate | - | 0.7842 | 78.42% |
| CYP2D6 substrate | - | 0.8711 | 87.11% |
| CYP3A4 inhibition | - | 0.8727 | 87.27% |
| CYP2C9 inhibition | - | 0.8214 | 82.14% |
| CYP2C19 inhibition | - | 0.8361 | 83.61% |
| CYP2D6 inhibition | - | 0.9231 | 92.31% |
| CYP1A2 inhibition | - | 0.6508 | 65.08% |
| CYP2C8 inhibition | - | 0.5596 | 55.96% |
| CYP inhibitory promiscuity | - | 0.9005 | 90.05% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.9700 | 97.00% |
| Carcinogenicity (trinary) | Non-required | 0.6536 | 65.36% |
| Eye corrosion | - | 0.9890 | 98.90% |
| Eye irritation | - | 0.9389 | 93.89% |
| Skin irritation | - | 0.8063 | 80.63% |
| Skin corrosion | - | 0.9404 | 94.04% |
| Ames mutagenesis | - | 0.5500 | 55.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4052 | 40.52% |
| Micronuclear | - | 0.5500 | 55.00% |
| Hepatotoxicity | - | 0.5125 | 51.25% |
| skin sensitisation | - | 0.8897 | 88.97% |
| Respiratory toxicity | - | 0.5333 | 53.33% |
| Reproductive toxicity | + | 0.7778 | 77.78% |
| Mitochondrial toxicity | + | 0.7625 | 76.25% |
| Nephrotoxicity | - | 0.6483 | 64.83% |
| Acute Oral Toxicity (c) | III | 0.6812 | 68.12% |
| Estrogen receptor binding | + | 0.6610 | 66.10% |
| Androgen receptor binding | + | 0.7158 | 71.58% |
| Thyroid receptor binding | + | 0.5531 | 55.31% |
| Glucocorticoid receptor binding | + | 0.6556 | 65.56% |
| Aromatase binding | - | 0.4924 | 49.24% |
| PPAR gamma | - | 0.4834 | 48.34% |
| Honey bee toxicity | - | 0.9303 | 93.03% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.8200 | 82.00% |
| Fish aquatic toxicity | - | 0.3626 | 36.26% |
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 | 97.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.77% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.56% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.37% | 96.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 91.25% | 91.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.18% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.07% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.03% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.66% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.03% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.83% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.51% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.42% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.32% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.24% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.52% | 90.71% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.14% | 93.04% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.96% | 91.49% |
| CHEMBL5028 | O14672 | ADAM10 | 81.54% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.15% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.84% | 92.51% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 24879153 |
| LOTUS | LTS0204870 |
| wikiData | Q77505097 |