2-(Acetylamino)benzamide
| Internal ID | 24ea1a9f-d248-4a57-a412-5722fc421a30 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | 2-acetamidobenzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H10N2O2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12) |
| InChI Key | WFKPHYKFAOXUTI-UHFFFAOYSA-N |
| Popularity | 22 references in papers |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.19 g/mol |
| Exact Mass | 178.074227566 g/mol |
| Topological Polar Surface Area (TPSA) | 72.20 Ų |
| XlogP | 0.30 |
| Atomic LogP (AlogP) | 0.74 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 2 |
| 2-(Acetylamino)benzamide |
| o-Acetamidobenzamide |
| NP-101A |
| NP 101A |
| CHEBI:66639 |
| DTXSID80187469 |
| RefChem:854778 |
| DTXCID40109960 |
| Acetanilide, 2'-carbamoyl-(6CI,8CI) |
| 2-acetamidobenzamide |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9209 | 92.09% |
| Caco-2 | + | 0.6383 | 63.83% |
| Blood Brain Barrier | + | 0.9000 | 90.00% |
| Human oral bioavailability | + | 0.5714 | 57.14% |
| Subcellular localzation | Mitochondria | 0.7636 | 76.36% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9722 | 97.22% |
| OATP1B3 inhibitior | + | 0.9553 | 95.53% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9048 | 90.48% |
| P-glycoprotein inhibitior | - | 0.9891 | 98.91% |
| P-glycoprotein substrate | - | 0.8630 | 86.30% |
| CYP3A4 substrate | - | 0.7256 | 72.56% |
| CYP2C9 substrate | - | 0.5918 | 59.18% |
| CYP2D6 substrate | - | 0.8824 | 88.24% |
| CYP3A4 inhibition | - | 0.9333 | 93.33% |
| CYP2C9 inhibition | - | 0.7803 | 78.03% |
| CYP2C19 inhibition | - | 0.8182 | 81.82% |
| CYP2D6 inhibition | - | 0.9855 | 98.55% |
| CYP1A2 inhibition | + | 0.8248 | 82.48% |
| CYP2C8 inhibition | - | 0.8883 | 88.83% |
| CYP inhibitory promiscuity | - | 0.8596 | 85.96% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6343 | 63.43% |
| Carcinogenicity (trinary) | Non-required | 0.6578 | 65.78% |
| Eye corrosion | - | 0.8920 | 89.20% |
| Eye irritation | + | 0.8699 | 86.99% |
| Skin irritation | - | 0.8453 | 84.53% |
| Skin corrosion | - | 0.9909 | 99.09% |
| Ames mutagenesis | - | 0.6200 | 62.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8047 | 80.47% |
| Micronuclear | + | 0.8700 | 87.00% |
| Hepatotoxicity | + | 0.7375 | 73.75% |
| skin sensitisation | - | 0.7518 | 75.18% |
| Respiratory toxicity | + | 0.5444 | 54.44% |
| Reproductive toxicity | - | 0.7889 | 78.89% |
| Mitochondrial toxicity | + | 0.6375 | 63.75% |
| Nephrotoxicity | + | 0.8234 | 82.34% |
| Acute Oral Toxicity (c) | IV | 0.5641 | 56.41% |
| Estrogen receptor binding | - | 0.7585 | 75.85% |
| Androgen receptor binding | - | 0.5624 | 56.24% |
| Thyroid receptor binding | - | 0.5985 | 59.85% |
| Glucocorticoid receptor binding | - | 0.5453 | 54.53% |
| Aromatase binding | - | 0.6860 | 68.60% |
| PPAR gamma | - | 0.8446 | 84.46% |
| Honey bee toxicity | - | 0.9800 | 98.00% |
| Biodegradation | - | 0.5750 | 57.50% |
| Crustacea aquatic toxicity | - | 0.6700 | 67.00% |
| Fish aquatic toxicity | - | 0.3716 | 37.16% |
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 | 92.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.47% | 96.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.40% | 87.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.80% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.68% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.42% | 98.95% |
| CHEMBL2321614 | Q9NPC2 | Potassium channel subfamily K member 9 | 82.96% | 80.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.95% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.23% | 86.33% |
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 | 118553 |
| LOTUS | LTS0214493 |
| wikiData | Q27135256 |