8-Hydroxy-4-methoxyquinoline-2-carboxamide
| Internal ID | 236bacd5-d008-4515-972e-e681528c309f |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxamides |
| IUPAC Name | 8-hydroxy-4-methoxyquinoline-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H10N2O3/c1-16-9-5-7(11(12)15)13-10-6(9)3-2-4-8(10)14/h2-5,14H,1H3,(H2,12,15) |
| InChI Key | IUQZLPOODRVXJP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.21 g/mol |
| Exact Mass | 218.06914219 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 1.00 |
| Atomic LogP (AlogP) | 1.05 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 2 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9937 | 99.37% |
| Caco-2 | - | 0.6449 | 64.49% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | + | 0.6714 | 67.14% |
| Subcellular localzation | Mitochondria | 0.7160 | 71.60% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9823 | 98.23% |
| OATP1B3 inhibitior | + | 0.9635 | 96.35% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.7445 | 74.45% |
| P-glycoprotein inhibitior | - | 0.9180 | 91.80% |
| P-glycoprotein substrate | - | 0.7639 | 76.39% |
| CYP3A4 substrate | - | 0.5110 | 51.10% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8303 | 83.03% |
| CYP3A4 inhibition | - | 0.6504 | 65.04% |
| CYP2C9 inhibition | - | 0.8158 | 81.58% |
| CYP2C19 inhibition | - | 0.7268 | 72.68% |
| CYP2D6 inhibition | - | 0.9497 | 94.97% |
| CYP1A2 inhibition | + | 0.8294 | 82.94% |
| CYP2C8 inhibition | - | 0.6208 | 62.08% |
| CYP inhibitory promiscuity | - | 0.7760 | 77.60% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.9023 | 90.23% |
| Carcinogenicity (trinary) | Non-required | 0.5400 | 54.00% |
| Eye corrosion | - | 0.9961 | 99.61% |
| Eye irritation | + | 0.7195 | 71.95% |
| Skin irritation | - | 0.8776 | 87.76% |
| Skin corrosion | - | 0.9795 | 97.95% |
| Ames mutagenesis | + | 0.6200 | 62.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6342 | 63.42% |
| Micronuclear | + | 0.8100 | 81.00% |
| Hepatotoxicity | + | 0.5961 | 59.61% |
| skin sensitisation | - | 0.9580 | 95.80% |
| Respiratory toxicity | + | 0.6111 | 61.11% |
| Reproductive toxicity | + | 0.7556 | 75.56% |
| Mitochondrial toxicity | - | 0.6875 | 68.75% |
| Nephrotoxicity | - | 0.7272 | 72.72% |
| Acute Oral Toxicity (c) | III | 0.7373 | 73.73% |
| Estrogen receptor binding | + | 0.8317 | 83.17% |
| Androgen receptor binding | + | 0.5776 | 57.76% |
| Thyroid receptor binding | + | 0.5468 | 54.68% |
| Glucocorticoid receptor binding | + | 0.8599 | 85.99% |
| Aromatase binding | + | 0.6474 | 64.74% |
| PPAR gamma | + | 0.5957 | 59.57% |
| Honey bee toxicity | - | 0.9657 | 96.57% |
| Biodegradation | - | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | - | 0.7549 | 75.49% |
| Fish aquatic toxicity | - | 0.9237 | 92.37% |
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 | 98.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.72% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.00% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.76% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.94% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.31% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.25% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.56% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.65% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.10% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.79% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.04% | 93.65% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 86002157 |
| LOTUS | LTS0234418 |
| wikiData | Q105120784 |