2-Amino-3-hydroxybenzamide
| Internal ID | 16ae8154-7b00-4dd2-a949-987c72a2dfc8 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides > Anthranilamides |
| IUPAC Name | 2-amino-3-hydroxybenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H8N2O2/c8-6-4(7(9)11)2-1-3-5(6)10/h1-3,10H,8H2,(H2,9,11) |
| InChI Key | MXUVTOSMGWXSHH-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.15 g/mol |
| Exact Mass | 152.058577502 g/mol |
| Topological Polar Surface Area (TPSA) | 89.30 Ų |
| XlogP | 0.30 |
| Atomic LogP (AlogP) | 0.07 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 1 |
| 16353-14-3 |
| Benzamide, 2-amino-3-hydroxy- |
| 2-amino-3-hydroxy benzamide |
| SCHEMBL2020740 |
| DTXSID70604630 |
| AKOS017515696 |
| MB36976 |
| EN300-196587 |
| Z1255418231 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9390 | 93.90% |
| Caco-2 | + | 0.7403 | 74.03% |
| Blood Brain Barrier | + | 0.6750 | 67.50% |
| Human oral bioavailability | + | 0.8571 | 85.71% |
| Subcellular localzation | Mitochondria | 0.7157 | 71.57% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9825 | 98.25% |
| OATP1B3 inhibitior | + | 0.9538 | 95.38% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | - | 0.9667 | 96.67% |
| P-glycoprotein inhibitior | - | 0.9877 | 98.77% |
| P-glycoprotein substrate | - | 0.9258 | 92.58% |
| CYP3A4 substrate | - | 0.7690 | 76.90% |
| CYP2C9 substrate | - | 0.7872 | 78.72% |
| CYP2D6 substrate | - | 0.8226 | 82.26% |
| CYP3A4 inhibition | - | 0.7537 | 75.37% |
| CYP2C9 inhibition | - | 0.8212 | 82.12% |
| CYP2C19 inhibition | - | 0.8355 | 83.55% |
| CYP2D6 inhibition | - | 0.9709 | 97.09% |
| CYP1A2 inhibition | + | 0.6694 | 66.94% |
| CYP2C8 inhibition | - | 0.9393 | 93.93% |
| CYP inhibitory promiscuity | - | 0.8125 | 81.25% |
| UGT catelyzed | + | 0.9000 | 90.00% |
| Carcinogenicity (binary) | - | 0.7222 | 72.22% |
| Carcinogenicity (trinary) | Non-required | 0.7413 | 74.13% |
| Eye corrosion | - | 0.9913 | 99.13% |
| Eye irritation | + | 0.9868 | 98.68% |
| Skin irritation | - | 0.7928 | 79.28% |
| Skin corrosion | - | 0.9857 | 98.57% |
| Ames mutagenesis | - | 0.7100 | 71.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8988 | 89.88% |
| Micronuclear | + | 0.8500 | 85.00% |
| Hepatotoxicity | + | 0.8000 | 80.00% |
| skin sensitisation | + | 0.4870 | 48.70% |
| Respiratory toxicity | + | 0.5222 | 52.22% |
| Reproductive toxicity | + | 0.6222 | 62.22% |
| Mitochondrial toxicity | + | 0.7250 | 72.50% |
| Nephrotoxicity | + | 0.5451 | 54.51% |
| Acute Oral Toxicity (c) | III | 0.6747 | 67.47% |
| Estrogen receptor binding | - | 0.9019 | 90.19% |
| Androgen receptor binding | - | 0.5939 | 59.39% |
| Thyroid receptor binding | - | 0.6395 | 63.95% |
| Glucocorticoid receptor binding | - | 0.6938 | 69.38% |
| Aromatase binding | - | 0.8906 | 89.06% |
| PPAR gamma | - | 0.5505 | 55.05% |
| Honey bee toxicity | - | 0.9687 | 96.87% |
| Biodegradation | - | 0.5000 | 50.00% |
| Crustacea aquatic toxicity | - | 0.8500 | 85.00% |
| Fish aquatic toxicity | - | 0.5287 | 52.87% |
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 | 94.59% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.31% | 96.09% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 84.75% | 89.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.88% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.68% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.82% | 98.95% |
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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| PubChem | 20283850 |
| LOTUS | LTS0220688 |
| wikiData | Q82502635 |