epsilon-Methyl-L-lysine
| Internal ID | aeac0482-e921-47d2-ac07-5a8769081194 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | (2S)-2-amino-6-(methylamino)hexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1 |
| InChI Key | PQNASZJZHFPQLE-LURJTMIESA-N |
| Popularity | 83 references in papers |
| Molecular Formula | C7H16N2O2 |
| Molecular Weight | 160.21 g/mol |
| Exact Mass | 160.121177757 g/mol |
| Topological Polar Surface Area (TPSA) | 75.40 Ų |
| XlogP | -2.50 |
| Atomic LogP (AlogP) | -0.21 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 6 |
| 1188-07-4 |
| n6-methyllysine |
| N-Epsilon-methyllysine |
| epsilon-methyllysine |
| FCR6T2IYVU |
| DTXSID70152242 |
| epsilon-methyl-l-lysine |
| RefChem:921073 |
| n(epsilon)-monomethyl-lysine |
| DTXCID3074733 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9289 | 92.89% |
| Caco-2 | - | 0.8218 | 82.18% |
| Blood Brain Barrier | + | 0.7250 | 72.50% |
| Human oral bioavailability | + | 0.7143 | 71.43% |
| Subcellular localzation | Lysosomes | 0.7642 | 76.42% |
| OATP2B1 inhibitior | - | 0.8391 | 83.91% |
| OATP1B1 inhibitior | + | 0.9662 | 96.62% |
| OATP1B3 inhibitior | + | 0.9426 | 94.26% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.7250 | 72.50% |
| BSEP inhibitior | - | 0.9736 | 97.36% |
| P-glycoprotein inhibitior | - | 0.9889 | 98.89% |
| P-glycoprotein substrate | - | 0.8174 | 81.74% |
| CYP3A4 substrate | - | 0.6392 | 63.92% |
| CYP2C9 substrate | - | 0.5957 | 59.57% |
| CYP2D6 substrate | - | 0.7409 | 74.09% |
| CYP3A4 inhibition | - | 0.9667 | 96.67% |
| CYP2C9 inhibition | - | 0.9522 | 95.22% |
| CYP2C19 inhibition | - | 0.9625 | 96.25% |
| CYP2D6 inhibition | - | 0.9502 | 95.02% |
| CYP1A2 inhibition | - | 0.8280 | 82.80% |
| CYP2C8 inhibition | - | 0.9931 | 99.31% |
| CYP inhibitory promiscuity | - | 0.9964 | 99.64% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7100 | 71.00% |
| Carcinogenicity (trinary) | Non-required | 0.5608 | 56.08% |
| Eye corrosion | - | 0.8468 | 84.68% |
| Eye irritation | - | 0.8989 | 89.89% |
| Skin irritation | - | 0.7131 | 71.31% |
| Skin corrosion | - | 0.6111 | 61.11% |
| Ames mutagenesis | - | 0.6300 | 63.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7745 | 77.45% |
| Micronuclear | - | 0.6800 | 68.00% |
| Hepatotoxicity | - | 0.8000 | 80.00% |
| skin sensitisation | - | 0.7645 | 76.45% |
| Respiratory toxicity | - | 0.5333 | 53.33% |
| Reproductive toxicity | - | 0.6198 | 61.98% |
| Mitochondrial toxicity | + | 0.6875 | 68.75% |
| Nephrotoxicity | - | 0.7917 | 79.17% |
| Acute Oral Toxicity (c) | III | 0.5378 | 53.78% |
| Estrogen receptor binding | - | 0.8733 | 87.33% |
| Androgen receptor binding | - | 0.7672 | 76.72% |
| Thyroid receptor binding | - | 0.8363 | 83.63% |
| Glucocorticoid receptor binding | - | 0.7656 | 76.56% |
| Aromatase binding | - | 0.8989 | 89.89% |
| PPAR gamma | - | 0.7376 | 73.76% |
| Honey bee toxicity | - | 0.9861 | 98.61% |
| Biodegradation | + | 0.7500 | 75.00% |
| Crustacea aquatic toxicity | - | 0.8600 | 86.00% |
| Fish aquatic toxicity | - | 0.8270 | 82.70% |
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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.83% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.43% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.37% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.77% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.20% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.67% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.13% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.90% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.47% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.76% | 96.47% |
| CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 81.21% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.05% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.35% | 90.71% |
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 | 164795 |
| LOTUS | LTS0141830 |
| wikiData | Q3334174 |