2,9-Dihydroxyphenazine-1-carboxylic acid
| Internal ID | edfa63ca-f7f6-49f9-b189-c812478b8162 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 2,9-dihydroxyphenazine-1-carboxylic acid |
| SMILES (Canonical) | C1=CC2=C(C(=C1)O)N=C3C(=N2)C=CC(=C3C(=O)O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O)N=C3C(=N2)C=CC(=C3C(=O)O)O |
| InChI | InChI=1S/C13H8N2O4/c16-8-5-4-7-12(10(8)13(18)19)15-11-6(14-7)2-1-3-9(11)17/h1-5,16-17H,(H,18,19) |
| InChI Key | SVHMWKCRJHEWGC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H8N2O4 |
| Molecular Weight | 256.21 g/mol |
| Exact Mass | 256.04840674 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.00 |
| Atomic LogP (AlogP) | 1.89 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9616 | 96.16% |
| Caco-2 | - | 0.6434 | 64.34% |
| Blood Brain Barrier | - | 0.6750 | 67.50% |
| Human oral bioavailability | - | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.6762 | 67.62% |
| OATP2B1 inhibitior | - | 0.7013 | 70.13% |
| OATP1B1 inhibitior | + | 0.9697 | 96.97% |
| OATP1B3 inhibitior | + | 0.9015 | 90.15% |
| MATE1 inhibitior | - | 0.8000 | 80.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.6462 | 64.62% |
| P-glycoprotein inhibitior | - | 0.9232 | 92.32% |
| P-glycoprotein substrate | - | 0.9649 | 96.49% |
| CYP3A4 substrate | - | 0.6544 | 65.44% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.9120 | 91.20% |
| CYP3A4 inhibition | - | 0.9176 | 91.76% |
| CYP2C9 inhibition | - | 0.8685 | 86.85% |
| CYP2C19 inhibition | - | 0.7476 | 74.76% |
| CYP2D6 inhibition | - | 0.9322 | 93.22% |
| CYP1A2 inhibition | + | 0.8705 | 87.05% |
| CYP2C8 inhibition | - | 0.6181 | 61.81% |
| CYP inhibitory promiscuity | - | 0.8119 | 81.19% |
| UGT catelyzed | + | 0.6362 | 63.62% |
| Carcinogenicity (binary) | - | 0.9526 | 95.26% |
| Carcinogenicity (trinary) | Non-required | 0.7685 | 76.85% |
| Eye corrosion | - | 0.9952 | 99.52% |
| Eye irritation | + | 0.9104 | 91.04% |
| Skin irritation | - | 0.7420 | 74.20% |
| Skin corrosion | - | 0.9759 | 97.59% |
| Ames mutagenesis | - | 0.5300 | 53.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8555 | 85.55% |
| Micronuclear | + | 0.8300 | 83.00% |
| Hepatotoxicity | + | 0.7500 | 75.00% |
| skin sensitisation | - | 0.8795 | 87.95% |
| Respiratory toxicity | - | 0.7889 | 78.89% |
| Reproductive toxicity | - | 0.5889 | 58.89% |
| Mitochondrial toxicity | - | 0.6000 | 60.00% |
| Nephrotoxicity | + | 0.7190 | 71.90% |
| Acute Oral Toxicity (c) | III | 0.5488 | 54.88% |
| Estrogen receptor binding | + | 0.8064 | 80.64% |
| Androgen receptor binding | + | 0.7247 | 72.47% |
| Thyroid receptor binding | + | 0.7083 | 70.83% |
| Glucocorticoid receptor binding | + | 0.9149 | 91.49% |
| Aromatase binding | + | 0.8199 | 81.99% |
| PPAR gamma | + | 0.9162 | 91.62% |
| Honey bee toxicity | - | 0.9855 | 98.55% |
| Biodegradation | - | 0.8000 | 80.00% |
| Crustacea aquatic toxicity | - | 0.8200 | 82.00% |
| Fish aquatic toxicity | - | 0.4685 | 46.85% |
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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.96% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.40% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.03% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.26% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.04% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.68% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.56% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.19% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.05% | 93.56% |
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 | 136041248 |
| LOTUS | LTS0025752 |
| wikiData | Q105262010 |