Streptazone D
| Internal ID | 60aa6ff7-6df6-488d-9597-ece8c23c4995 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H13NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,8,11H,6-7H2,1H3/b3-2+,5-4+ |
| InChI Key | JQRBQNKJVCLWIK-MQQKCMAXSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.22 g/mol |
| Exact Mass | 163.099714038 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 1.60 |
| Atomic LogP (AlogP) | 1.56 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 2 |
| CHEMBL485987 |
| SCHEMBL17867121 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9947 | 99.47% |
| Caco-2 | + | 0.8542 | 85.42% |
| Blood Brain Barrier | + | 0.8500 | 85.00% |
| Human oral bioavailability | + | 0.5857 | 58.57% |
| Subcellular localzation | Lysosomes | 0.5064 | 50.64% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9076 | 90.76% |
| OATP1B3 inhibitior | + | 0.9550 | 95.50% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.5250 | 52.50% |
| BSEP inhibitior | - | 0.8312 | 83.12% |
| P-glycoprotein inhibitior | - | 0.9950 | 99.50% |
| P-glycoprotein substrate | - | 0.8933 | 89.33% |
| CYP3A4 substrate | - | 0.6143 | 61.43% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8297 | 82.97% |
| CYP3A4 inhibition | - | 0.9706 | 97.06% |
| CYP2C9 inhibition | - | 0.9114 | 91.14% |
| CYP2C19 inhibition | - | 0.9018 | 90.18% |
| CYP2D6 inhibition | - | 0.8951 | 89.51% |
| CYP1A2 inhibition | - | 0.6772 | 67.72% |
| CYP2C8 inhibition | - | 0.9848 | 98.48% |
| CYP inhibitory promiscuity | - | 0.9170 | 91.70% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9200 | 92.00% |
| Carcinogenicity (trinary) | Non-required | 0.6448 | 64.48% |
| Eye corrosion | - | 0.7528 | 75.28% |
| Eye irritation | + | 0.8312 | 83.12% |
| Skin irritation | - | 0.5583 | 55.83% |
| Skin corrosion | - | 0.7176 | 71.76% |
| Ames mutagenesis | - | 0.7500 | 75.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6859 | 68.59% |
| Micronuclear | - | 0.7300 | 73.00% |
| Hepatotoxicity | + | 0.6302 | 63.02% |
| skin sensitisation | - | 0.8120 | 81.20% |
| Respiratory toxicity | - | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.5556 | 55.56% |
| Mitochondrial toxicity | + | 0.6250 | 62.50% |
| Nephrotoxicity | - | 0.6164 | 61.64% |
| Acute Oral Toxicity (c) | III | 0.6375 | 63.75% |
| Estrogen receptor binding | - | 0.9232 | 92.32% |
| Androgen receptor binding | - | 0.5808 | 58.08% |
| Thyroid receptor binding | - | 0.7530 | 75.30% |
| Glucocorticoid receptor binding | - | 0.6259 | 62.59% |
| Aromatase binding | - | 0.7194 | 71.94% |
| PPAR gamma | - | 0.6199 | 61.99% |
| Honey bee toxicity | - | 0.9117 | 91.17% |
| Biodegradation | - | 0.6750 | 67.50% |
| Crustacea aquatic toxicity | - | 0.6100 | 61.00% |
| Fish aquatic toxicity | - | 0.9932 | 99.32% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.48% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.21% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.40% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.17% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.43% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.32% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.31% | 90.24% |
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 | 10464645 |
| LOTUS | LTS0158050 |
| wikiData | Q77279629 |