Streptophenazine C
| Internal ID | c0559bef-f292-43ea-b55e-715bd58a5dd6 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylic acid |
| SMILES (Canonical) | CC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)O)C(=O)OC)O |
| SMILES (Isomeric) | CC(C)CCCC(C(C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)O)C(=O)OC)O |
| InChI | InChI=1S/C23H26N2O5/c1-13(2)7-4-12-18(26)19(23(29)30-3)14-8-5-10-16-20(14)24-17-11-6-9-15(22(27)28)21(17)25-16/h5-6,8-11,13,18-19,26H,4,7,12H2,1-3H3,(H,27,28) |
| InChI Key | ONEYDSBBYZVTOT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.00 |
| Atomic LogP (AlogP) | 3.93 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 8 |
| CHEMBL497540 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9207 | 92.07% |
| Caco-2 | - | 0.6997 | 69.97% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | + | 0.6286 | 62.86% |
| Subcellular localzation | Mitochondria | 0.7309 | 73.09% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9541 | 95.41% |
| OATP1B3 inhibitior | + | 0.9193 | 91.93% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.7250 | 72.50% |
| BSEP inhibitior | + | 0.8564 | 85.64% |
| P-glycoprotein inhibitior | + | 0.7306 | 73.06% |
| P-glycoprotein substrate | - | 0.5265 | 52.65% |
| CYP3A4 substrate | + | 0.5209 | 52.09% |
| CYP2C9 substrate | + | 0.7867 | 78.67% |
| CYP2D6 substrate | - | 0.8870 | 88.70% |
| CYP3A4 inhibition | - | 0.8812 | 88.12% |
| CYP2C9 inhibition | - | 0.8416 | 84.16% |
| CYP2C19 inhibition | - | 0.8561 | 85.61% |
| CYP2D6 inhibition | - | 0.9191 | 91.91% |
| CYP1A2 inhibition | - | 0.6771 | 67.71% |
| CYP2C8 inhibition | - | 0.6133 | 61.33% |
| CYP inhibitory promiscuity | - | 0.9015 | 90.15% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.9600 | 96.00% |
| Carcinogenicity (trinary) | Non-required | 0.6435 | 64.35% |
| Eye corrosion | - | 0.9890 | 98.90% |
| Eye irritation | - | 0.9229 | 92.29% |
| Skin irritation | - | 0.8175 | 81.75% |
| Skin corrosion | - | 0.9422 | 94.22% |
| Ames mutagenesis | - | 0.5900 | 59.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5579 | 55.79% |
| Micronuclear | - | 0.5200 | 52.00% |
| Hepatotoxicity | + | 0.5750 | 57.50% |
| skin sensitisation | - | 0.8935 | 89.35% |
| Respiratory toxicity | + | 0.6000 | 60.00% |
| Reproductive toxicity | + | 0.7778 | 77.78% |
| Mitochondrial toxicity | + | 0.7875 | 78.75% |
| Nephrotoxicity | - | 0.6560 | 65.60% |
| Acute Oral Toxicity (c) | III | 0.6808 | 68.08% |
| Estrogen receptor binding | + | 0.6756 | 67.56% |
| Androgen receptor binding | + | 0.7205 | 72.05% |
| Thyroid receptor binding | + | 0.5674 | 56.74% |
| Glucocorticoid receptor binding | + | 0.6907 | 69.07% |
| Aromatase binding | + | 0.5725 | 57.25% |
| PPAR gamma | + | 0.5344 | 53.44% |
| Honey bee toxicity | - | 0.9232 | 92.32% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.8400 | 84.00% |
| Fish aquatic toxicity | + | 0.6470 | 64.70% |
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 | 98.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.03% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.90% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.73% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.82% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.20% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.69% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.24% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.28% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.22% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.03% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.59% | 99.17% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.52% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.23% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 82.79% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.36% | 100.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.31% | 81.11% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 81.32% | 91.65% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 24879151 |
| LOTUS | LTS0156142 |
| wikiData | Q77384594 |