Chromophenazine F
| Internal ID | 3c8cdb5d-70af-4240-8a5c-05d7994e9b12 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives |
| IUPAC Name | 3,7-dibenzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H27N3O3/c1-20(2)15-16-35-27-18-23(30(36)21-9-5-3-6-10-21)13-14-26(27)34-29-25(32(33)38)17-24(19-28(29)35)31(37)22-11-7-4-8-12-22/h3-15,17-19,34H,16H2,1-2H3,(H2,33,38) |
| InChI Key | BXOZZJRGTIYBDX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H27N3O3 |
| Molecular Weight | 501.60 g/mol |
| Exact Mass | 501.20524173 g/mol |
| Topological Polar Surface Area (TPSA) | 92.50 Ų |
| XlogP | 6.10 |
| Atomic LogP (AlogP) | 6.41 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 7 |
| 3,7-dibenzoyl-5-(3-methylbut-2-enyl)-10H-phenazine-1-carboxamide |
| RefChem:125922 |
| 3,7-Dibenzoyl-5-(3-methylbut-2-en-1-yl)-5,10-dihydrophenazine-1-carboximidate |
| CHEMBL1952288 |
| CHEBI:208224 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9309 | 93.09% |
| Caco-2 | - | 0.6515 | 65.15% |
| Blood Brain Barrier | + | 0.6750 | 67.50% |
| Human oral bioavailability | + | 0.5286 | 52.86% |
| Subcellular localzation | Mitochondria | 0.6155 | 61.55% |
| OATP2B1 inhibitior | - | 0.8546 | 85.46% |
| OATP1B1 inhibitior | + | 0.9256 | 92.56% |
| OATP1B3 inhibitior | + | 0.9412 | 94.12% |
| MATE1 inhibitior | - | 0.8618 | 86.18% |
| OCT2 inhibitior | - | 0.8067 | 80.67% |
| BSEP inhibitior | + | 0.9866 | 98.66% |
| P-glycoprotein inhibitior | + | 0.8682 | 86.82% |
| P-glycoprotein substrate | - | 0.5310 | 53.10% |
| CYP3A4 substrate | - | 0.5055 | 50.55% |
| CYP2C9 substrate | + | 0.6095 | 60.95% |
| CYP2D6 substrate | - | 0.8957 | 89.57% |
| CYP3A4 inhibition | - | 0.6834 | 68.34% |
| CYP2C9 inhibition | + | 0.5247 | 52.47% |
| CYP2C19 inhibition | - | 0.5386 | 53.86% |
| CYP2D6 inhibition | - | 0.8319 | 83.19% |
| CYP1A2 inhibition | - | 0.6486 | 64.86% |
| CYP2C8 inhibition | + | 0.5253 | 52.53% |
| CYP inhibitory promiscuity | + | 0.7681 | 76.81% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9000 | 90.00% |
| Carcinogenicity (trinary) | Non-required | 0.5888 | 58.88% |
| Eye corrosion | - | 0.9878 | 98.78% |
| Eye irritation | - | 0.9141 | 91.41% |
| Skin irritation | - | 0.7883 | 78.83% |
| Skin corrosion | - | 0.9397 | 93.97% |
| Ames mutagenesis | - | 0.6400 | 64.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.8372 | 83.72% |
| Micronuclear | + | 0.8300 | 83.00% |
| Hepatotoxicity | - | 0.5250 | 52.50% |
| skin sensitisation | - | 0.8823 | 88.23% |
| Respiratory toxicity | + | 0.8111 | 81.11% |
| Reproductive toxicity | + | 0.7778 | 77.78% |
| Mitochondrial toxicity | + | 0.7500 | 75.00% |
| Nephrotoxicity | - | 0.6449 | 64.49% |
| Acute Oral Toxicity (c) | III | 0.6132 | 61.32% |
| Estrogen receptor binding | + | 0.7797 | 77.97% |
| Androgen receptor binding | + | 0.8806 | 88.06% |
| Thyroid receptor binding | + | 0.5915 | 59.15% |
| Glucocorticoid receptor binding | + | 0.7927 | 79.27% |
| Aromatase binding | - | 0.5511 | 55.11% |
| PPAR gamma | + | 0.7961 | 79.61% |
| Honey bee toxicity | - | 0.9404 | 94.04% |
| Biodegradation | - | 0.9500 | 95.00% |
| Crustacea aquatic toxicity | - | 0.6400 | 64.00% |
| Fish aquatic toxicity | + | 0.9061 | 90.61% |
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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.86% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.40% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.08% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.97% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.66% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.98% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.31% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.95% | 96.95% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.66% | 93.81% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.60% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.19% | 94.45% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 84.70% | 89.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.59% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.24% | 93.00% |
| CHEMBL3835 | P51955 | Serine/threonine-protein kinase NEK2 | 84.08% | 80.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.52% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.29% | 95.50% |
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 | 57333563 |
| LOTUS | LTS0071665 |
| wikiData | Q77517240 |