Streptazone F
| Internal ID | 516c19fb-5841-439c-b762-113796235ce5 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives |
| IUPAC Name | (5E)-5-[(E)-but-2-enylidene]-1H-cyclopenta[b]pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H11NO/c1-2-3-4-9-5-6-10-12(9)11(14)7-8-13-10/h2-8H,1H3,(H,13,14)/b3-2+,9-4+ |
| InChI Key | NSVDPFZTGJHYDM-DSXPNFDZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.22 g/mol |
| Exact Mass | 185.084063974 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 1.90 |
| Atomic LogP (AlogP) | 2.36 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 1.0000 | 100.00% |
| Caco-2 | + | 0.6584 | 65.84% |
| Blood Brain Barrier | + | 0.7379 | 73.79% |
| Human oral bioavailability | + | 0.6857 | 68.57% |
| Subcellular localzation | Mitochondria | 0.5666 | 56.66% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8923 | 89.23% |
| OATP1B3 inhibitior | + | 0.9699 | 96.99% |
| MATE1 inhibitior | - | 0.9400 | 94.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.6659 | 66.59% |
| P-glycoprotein inhibitior | - | 0.9578 | 95.78% |
| P-glycoprotein substrate | - | 0.8969 | 89.69% |
| CYP3A4 substrate | - | 0.5747 | 57.47% |
| CYP2C9 substrate | - | 0.5936 | 59.36% |
| CYP2D6 substrate | - | 0.8443 | 84.43% |
| CYP3A4 inhibition | - | 0.6340 | 63.40% |
| CYP2C9 inhibition | + | 0.6542 | 65.42% |
| CYP2C19 inhibition | + | 0.6223 | 62.23% |
| CYP2D6 inhibition | + | 0.5480 | 54.80% |
| CYP1A2 inhibition | + | 0.9148 | 91.48% |
| CYP2C8 inhibition | - | 0.9258 | 92.58% |
| CYP inhibitory promiscuity | + | 0.5919 | 59.19% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9000 | 90.00% |
| Carcinogenicity (trinary) | Non-required | 0.6208 | 62.08% |
| Eye corrosion | - | 0.9610 | 96.10% |
| Eye irritation | + | 0.9278 | 92.78% |
| Skin irritation | - | 0.6303 | 63.03% |
| Skin corrosion | - | 0.9362 | 93.62% |
| Ames mutagenesis | - | 0.5100 | 51.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7123 | 71.23% |
| Micronuclear | + | 0.7281 | 72.81% |
| Hepatotoxicity | + | 0.5875 | 58.75% |
| skin sensitisation | - | 0.5570 | 55.70% |
| Respiratory toxicity | + | 0.6222 | 62.22% |
| Reproductive toxicity | + | 0.6111 | 61.11% |
| Mitochondrial toxicity | - | 0.6000 | 60.00% |
| Nephrotoxicity | + | 0.6343 | 63.43% |
| Acute Oral Toxicity (c) | III | 0.7279 | 72.79% |
| Estrogen receptor binding | + | 0.5722 | 57.22% |
| Androgen receptor binding | - | 0.6498 | 64.98% |
| Thyroid receptor binding | + | 0.5704 | 57.04% |
| Glucocorticoid receptor binding | - | 0.4667 | 46.67% |
| Aromatase binding | + | 0.7340 | 73.40% |
| PPAR gamma | - | 0.6776 | 67.76% |
| Honey bee toxicity | - | 0.9007 | 90.07% |
| Biodegradation | - | 0.7500 | 75.00% |
| Crustacea aquatic toxicity | + | 0.6600 | 66.00% |
| Fish aquatic toxicity | - | 0.6366 | 63.66% |
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 | 94.62% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.24% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.57% | 85.30% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.98% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.32% | 94.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.21% | 83.10% |
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 | 71665794 |
| LOTUS | LTS0111127 |
| wikiData | Q77515427 |