L-Methionyl-L-valine
| Internal ID | 268f5cad-5b2c-4bd6-adef-fa53172fa9be |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H20N2O3S/c1-6(2)8(10(14)15)12-9(13)7(11)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 |
| InChI Key | BJFJQOMZCSHBMY-YUMQZZPRSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C10H20N2O3S |
| Molecular Weight | 248.34 g/mol |
| Exact Mass | 248.11946368 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -2.50 |
| Atomic LogP (AlogP) | 0.29 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 7 |
| 14486-13-6 |
| methionylvaline |
| L-methionyl-L-valine |
| met-val |
| (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid |
| Methionyl-Valine |
| (2S)-2-[[(2S)-2-Azaniumyl-4-methylsulfanylbutanoyl]amino]-3-methylbutanoate |
| L-Met-L-Val |
| SCHEMBL11668382 |
| CHEBI:73616 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8368 | 83.68% |
| Caco-2 | - | 0.7592 | 75.92% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | - | 0.5143 | 51.43% |
| Subcellular localzation | Mitochondria | 0.5570 | 55.70% |
| OATP2B1 inhibitior | - | 0.8547 | 85.47% |
| OATP1B1 inhibitior | + | 0.9470 | 94.70% |
| OATP1B3 inhibitior | + | 0.9493 | 94.93% |
| MATE1 inhibitior | - | 0.9000 | 90.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9346 | 93.46% |
| P-glycoprotein inhibitior | - | 0.9391 | 93.91% |
| P-glycoprotein substrate | - | 0.6855 | 68.55% |
| CYP3A4 substrate | - | 0.6092 | 60.92% |
| CYP2C9 substrate | + | 0.5928 | 59.28% |
| CYP2D6 substrate | - | 0.8291 | 82.91% |
| CYP3A4 inhibition | - | 0.9451 | 94.51% |
| CYP2C9 inhibition | - | 0.9163 | 91.63% |
| CYP2C19 inhibition | - | 0.8917 | 89.17% |
| CYP2D6 inhibition | - | 0.9576 | 95.76% |
| CYP1A2 inhibition | - | 0.9110 | 91.10% |
| CYP2C8 inhibition | - | 0.9774 | 97.74% |
| CYP inhibitory promiscuity | - | 0.9942 | 99.42% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7400 | 74.00% |
| Carcinogenicity (trinary) | Non-required | 0.7242 | 72.42% |
| Eye corrosion | - | 0.9698 | 96.98% |
| Eye irritation | - | 0.9897 | 98.97% |
| Skin irritation | - | 0.8099 | 80.99% |
| Skin corrosion | - | 0.8946 | 89.46% |
| Ames mutagenesis | - | 0.7815 | 78.15% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6669 | 66.69% |
| Micronuclear | - | 0.5100 | 51.00% |
| Hepatotoxicity | - | 0.6375 | 63.75% |
| skin sensitisation | - | 0.8917 | 89.17% |
| Respiratory toxicity | - | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.5222 | 52.22% |
| Mitochondrial toxicity | + | 0.7000 | 70.00% |
| Nephrotoxicity | + | 0.4834 | 48.34% |
| Acute Oral Toxicity (c) | III | 0.6579 | 65.79% |
| Estrogen receptor binding | - | 0.7238 | 72.38% |
| Androgen receptor binding | - | 0.8349 | 83.49% |
| Thyroid receptor binding | - | 0.5478 | 54.78% |
| Glucocorticoid receptor binding | - | 0.6272 | 62.72% |
| Aromatase binding | - | 0.8963 | 89.63% |
| PPAR gamma | - | 0.8012 | 80.12% |
| Honey bee toxicity | - | 0.9595 | 95.95% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | - | 0.7000 | 70.00% |
| Fish aquatic toxicity | - | 0.5443 | 54.43% |
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 | 99.04% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.58% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 95.03% | 92.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.58% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.40% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.32% | 99.17% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.29% | 97.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.94% | 89.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.80% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.06% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.55% | 90.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.53% | 99.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.95% | 97.06% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.93% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.52% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.53% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.55% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.11% | 94.33% |
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 | 7010520 |
| LOTUS | LTS0197114 |
| wikiData | Q27141933 |