Streptophenazine G
| Internal ID | 9ce44315-977f-4b52-bed3-5e106c6dbf1f |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate |
| SMILES (Canonical) | CCC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| SMILES (Isomeric) | CCC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)C(=O)OC)O |
| InChI | InChI=1S/C25H30N2O5/c1-5-15(2)9-6-14-20(28)21(25(30)32-4)16-10-7-12-18-22(16)26-19-13-8-11-17(23(19)27-18)24(29)31-3/h7-8,10-13,15,20-21,28H,5-6,9,14H2,1-4H3 |
| InChI Key | BNLCCYULJSGXCA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H30N2O5 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.21547206 g/mol |
| Topological Polar Surface Area (TPSA) | 98.60 Ų |
| XlogP | 4.80 |
| Atomic LogP (AlogP) | 4.40 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 9 |
| 1018439-69-4 |
| methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate |
| CHEMBL522571 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9707 | 97.07% |
| Caco-2 | - | 0.6877 | 68.77% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | + | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.6994 | 69.94% |
| OATP2B1 inhibitior | - | 0.8529 | 85.29% |
| OATP1B1 inhibitior | + | 0.9236 | 92.36% |
| OATP1B3 inhibitior | + | 0.9064 | 90.64% |
| MATE1 inhibitior | - | 0.8200 | 82.00% |
| OCT2 inhibitior | - | 0.7250 | 72.50% |
| BSEP inhibitior | + | 0.9684 | 96.84% |
| P-glycoprotein inhibitior | + | 0.8519 | 85.19% |
| P-glycoprotein substrate | + | 0.5489 | 54.89% |
| CYP3A4 substrate | + | 0.6039 | 60.39% |
| 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 | + | 0.5482 | 54.82% |
| CYP inhibitory promiscuity | - | 0.8562 | 85.62% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.9600 | 96.00% |
| Carcinogenicity (trinary) | Non-required | 0.6946 | 69.46% |
| Eye corrosion | - | 0.9891 | 98.91% |
| Eye irritation | - | 0.9549 | 95.49% |
| Skin irritation | - | 0.8137 | 81.37% |
| Skin corrosion | - | 0.9466 | 94.66% |
| Ames mutagenesis | - | 0.5400 | 54.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4460 | 44.60% |
| Micronuclear | - | 0.5300 | 53.00% |
| Hepatotoxicity | - | 0.5091 | 50.91% |
| skin sensitisation | - | 0.9078 | 90.78% |
| Respiratory toxicity | + | 0.5222 | 52.22% |
| Reproductive toxicity | + | 0.7778 | 77.78% |
| Mitochondrial toxicity | + | 0.8625 | 86.25% |
| Nephrotoxicity | - | 0.6316 | 63.16% |
| Acute Oral Toxicity (c) | III | 0.6227 | 62.27% |
| Estrogen receptor binding | + | 0.6665 | 66.65% |
| Androgen receptor binding | + | 0.7355 | 73.55% |
| Thyroid receptor binding | - | 0.4921 | 49.21% |
| Glucocorticoid receptor binding | + | 0.6698 | 66.98% |
| Aromatase binding | - | 0.4826 | 48.26% |
| PPAR gamma | - | 0.4850 | 48.50% |
| Honey bee toxicity | - | 0.9280 | 92.80% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | - | 0.7700 | 77.00% |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.44% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.01% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.18% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.77% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.51% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.95% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.75% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.46% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.09% | 93.56% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 88.61% | 91.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.84% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.38% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.68% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.71% | 91.49% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.69% | 100.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 81.70% | 95.39% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.43% | 93.04% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.15% | 98.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.12% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 24879217 |
| LOTUS | LTS0192802 |
| wikiData | Q103816877 |