2-Acetamido-3-hydroxybenzamide
| Internal ID | 57884efa-ab4f-41f1-bab8-112ab7ad03f3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives |
| IUPAC Name | 2-acetamido-3-hydroxybenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H10N2O3/c1-5(12)11-8-6(9(10)14)3-2-4-7(8)13/h2-4,13H,1H3,(H2,10,14)(H,11,12) |
| InChI Key | UUTSSDBRYVEKEM-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.19 g/mol |
| Exact Mass | 194.06914219 g/mol |
| Topological Polar Surface Area (TPSA) | 92.40 Ų |
| XlogP | 0.00 |
| Atomic LogP (AlogP) | 0.45 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 2 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8419 | 84.19% |
| Caco-2 | - | 0.6155 | 61.55% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | + | 0.7286 | 72.86% |
| Subcellular localzation | Mitochondria | 0.8266 | 82.66% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9760 | 97.60% |
| OATP1B3 inhibitior | + | 0.9556 | 95.56% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9665 | 96.65% |
| P-glycoprotein inhibitior | - | 0.9825 | 98.25% |
| P-glycoprotein substrate | - | 0.6107 | 61.07% |
| CYP3A4 substrate | - | 0.6176 | 61.76% |
| CYP2C9 substrate | - | 0.6027 | 60.27% |
| CYP2D6 substrate | - | 0.8720 | 87.20% |
| CYP3A4 inhibition | - | 0.8559 | 85.59% |
| CYP2C9 inhibition | - | 0.8909 | 89.09% |
| CYP2C19 inhibition | - | 0.9066 | 90.66% |
| CYP2D6 inhibition | - | 0.9786 | 97.86% |
| CYP1A2 inhibition | - | 0.6167 | 61.67% |
| CYP2C8 inhibition | - | 0.9507 | 95.07% |
| CYP inhibitory promiscuity | - | 0.9261 | 92.61% |
| UGT catelyzed | + | 0.9000 | 90.00% |
| Carcinogenicity (binary) | - | 0.7599 | 75.99% |
| Carcinogenicity (trinary) | Non-required | 0.7161 | 71.61% |
| Eye corrosion | - | 0.9929 | 99.29% |
| Eye irritation | + | 0.7184 | 71.84% |
| Skin irritation | - | 0.8601 | 86.01% |
| Skin corrosion | - | 0.9780 | 97.80% |
| Ames mutagenesis | - | 0.7100 | 71.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8801 | 88.01% |
| Micronuclear | + | 0.9100 | 91.00% |
| Hepatotoxicity | + | 0.6875 | 68.75% |
| skin sensitisation | - | 0.7689 | 76.89% |
| Respiratory toxicity | + | 0.6000 | 60.00% |
| Reproductive toxicity | + | 0.6333 | 63.33% |
| Mitochondrial toxicity | + | 0.6750 | 67.50% |
| Nephrotoxicity | + | 0.5673 | 56.73% |
| Acute Oral Toxicity (c) | III | 0.7051 | 70.51% |
| Estrogen receptor binding | - | 0.6546 | 65.46% |
| Androgen receptor binding | - | 0.6332 | 63.32% |
| Thyroid receptor binding | - | 0.6705 | 67.05% |
| Glucocorticoid receptor binding | - | 0.5742 | 57.42% |
| Aromatase binding | - | 0.6506 | 65.06% |
| PPAR gamma | - | 0.7217 | 72.17% |
| Honey bee toxicity | - | 0.9837 | 98.37% |
| Biodegradation | - | 0.6000 | 60.00% |
| Crustacea aquatic toxicity | - | 0.8000 | 80.00% |
| Fish aquatic toxicity | + | 0.6858 | 68.58% |
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 | 94.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.71% | 96.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.65% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.91% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.09% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.77% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.71% | 98.75% |
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 | 69634721 |
| LOTUS | LTS0083982 |
| wikiData | Q75064046 |