2-Amino-4-chlorobenzamide
| Internal ID | 28193add-830b-4070-98c1-7f8384fa2f83 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides > Anthranilamides |
| IUPAC Name | 2-amino-4-chlorobenzamide |
| SMILES (Canonical) | C1=CC(=C(C=C1Cl)N)C(=O)N |
| SMILES (Isomeric) | C1=CC(=C(C=C1Cl)N)C(=O)N |
| InChI | InChI=1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11) |
| InChI Key | QNEJYHVIYJFNHC-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C7H7ClN2O |
| Molecular Weight | 170.59 g/mol |
| Exact Mass | 170.0246905 g/mol |
| Topological Polar Surface Area (TPSA) | 69.10 Ų |
| XlogP | 0.90 |
| Atomic LogP (AlogP) | 1.02 |
| H-Bond Acceptor | 2 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 1 |
| 5900-59-4 |
| Benzamide, 2-amino-4-chloro- |
| 2-Amino-4-chloro-benzamide |
| MFCD09042792 |
| 2-Amino-4-chlorbenzamid |
| 2-Amino4-chlorobenzamide |
| SCHEMBL160570 |
| DTXSID20495035 |
| QNEJYHVIYJFNHC-UHFFFAOYSA-N |
| BBL022498 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9069 | 90.69% |
| Caco-2 | + | 0.9308 | 93.08% |
| Blood Brain Barrier | + | 0.8250 | 82.50% |
| Human oral bioavailability | + | 0.8429 | 84.29% |
| Subcellular localzation | Mitochondria | 0.7038 | 70.38% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9658 | 96.58% |
| OATP1B3 inhibitior | + | 0.9506 | 95.06% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | - | 0.9062 | 90.62% |
| P-glycoprotein inhibitior | - | 0.9850 | 98.50% |
| P-glycoprotein substrate | - | 0.9648 | 96.48% |
| CYP3A4 substrate | - | 0.6627 | 66.27% |
| CYP2C9 substrate | - | 0.7872 | 78.72% |
| CYP2D6 substrate | - | 0.8362 | 83.62% |
| CYP3A4 inhibition | - | 0.8261 | 82.61% |
| CYP2C9 inhibition | - | 0.6287 | 62.87% |
| CYP2C19 inhibition | - | 0.7109 | 71.09% |
| CYP2D6 inhibition | - | 0.9082 | 90.82% |
| CYP1A2 inhibition | + | 0.9596 | 95.96% |
| CYP2C8 inhibition | - | 0.9435 | 94.35% |
| CYP inhibitory promiscuity | + | 0.5473 | 54.73% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.5719 | 57.19% |
| Carcinogenicity (trinary) | Non-required | 0.6606 | 66.06% |
| Eye corrosion | - | 0.8679 | 86.79% |
| Eye irritation | + | 0.9902 | 99.02% |
| Skin irritation | - | 0.8745 | 87.45% |
| Skin corrosion | - | 0.9877 | 98.77% |
| Ames mutagenesis | - | 0.5200 | 52.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8546 | 85.46% |
| Micronuclear | + | 0.8200 | 82.00% |
| Hepatotoxicity | + | 0.7625 | 76.25% |
| skin sensitisation | - | 0.5960 | 59.60% |
| Respiratory toxicity | - | 0.6667 | 66.67% |
| Reproductive toxicity | - | 0.7444 | 74.44% |
| Mitochondrial toxicity | + | 0.5875 | 58.75% |
| Nephrotoxicity | + | 0.6792 | 67.92% |
| Acute Oral Toxicity (c) | III | 0.5868 | 58.68% |
| Estrogen receptor binding | - | 0.8981 | 89.81% |
| Androgen receptor binding | - | 0.6520 | 65.20% |
| Thyroid receptor binding | - | 0.5550 | 55.50% |
| Glucocorticoid receptor binding | - | 0.6096 | 60.96% |
| Aromatase binding | - | 0.6842 | 68.42% |
| PPAR gamma | + | 0.6141 | 61.41% |
| Honey bee toxicity | - | 0.9393 | 93.93% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | - | 0.6961 | 69.61% |
| Fish aquatic toxicity | + | 0.8413 | 84.13% |
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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.93% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.70% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.56% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.87% | 86.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 83.82% | 93.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.04% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.10% | 96.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.87% | 90.24% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.65% | 92.29% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.10% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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