L-glutamyl-L-valine
| Internal ID | f3764728-1b74-4787-bf58-0eeac7d7f8e5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1 |
| InChI Key | SITLTJHOQZFJGG-XPUUQOCRSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C10H18N2O5 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.12157168 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -3.90 |
| Atomic LogP (AlogP) | -0.60 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 7 |
| H-GLU-VAL-OH |
| GLU-VAL |
| Glutamyl-Valine |
| L-Glu-L-Val |
| alpha-Glu-Val |
| 5879-06-1 |
| L-Glutamyl-L-valine |
| (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid |
| EV dipeptide |
| E-V Dipeptide |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.5866 | 58.66% |
| Caco-2 | - | 0.8319 | 83.19% |
| Blood Brain Barrier | + | 0.7750 | 77.50% |
| Human oral bioavailability | + | 0.6143 | 61.43% |
| Subcellular localzation | Mitochondria | 0.6916 | 69.16% |
| OATP2B1 inhibitior | - | 0.8529 | 85.29% |
| OATP1B1 inhibitior | + | 0.9566 | 95.66% |
| OATP1B3 inhibitior | + | 0.9537 | 95.37% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.9822 | 98.22% |
| BSEP inhibitior | - | 0.9630 | 96.30% |
| P-glycoprotein inhibitior | - | 0.9480 | 94.80% |
| P-glycoprotein substrate | - | 0.8360 | 83.60% |
| CYP3A4 substrate | - | 0.6498 | 64.98% |
| CYP2C9 substrate | + | 0.5905 | 59.05% |
| CYP2D6 substrate | - | 0.8183 | 81.83% |
| CYP3A4 inhibition | - | 0.9284 | 92.84% |
| CYP2C9 inhibition | - | 0.9616 | 96.16% |
| CYP2C19 inhibition | - | 0.9579 | 95.79% |
| CYP2D6 inhibition | - | 0.9703 | 97.03% |
| CYP1A2 inhibition | - | 0.9629 | 96.29% |
| CYP2C8 inhibition | - | 0.9911 | 99.11% |
| CYP inhibitory promiscuity | - | 0.9913 | 99.13% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8400 | 84.00% |
| Carcinogenicity (trinary) | Non-required | 0.7143 | 71.43% |
| Eye corrosion | - | 0.9834 | 98.34% |
| Eye irritation | - | 0.9706 | 97.06% |
| Skin irritation | - | 0.8752 | 87.52% |
| Skin corrosion | - | 0.8175 | 81.75% |
| Ames mutagenesis | - | 0.8900 | 89.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7020 | 70.20% |
| Micronuclear | - | 0.5200 | 52.00% |
| Hepatotoxicity | + | 0.6250 | 62.50% |
| skin sensitisation | - | 0.9511 | 95.11% |
| Respiratory toxicity | + | 0.6556 | 65.56% |
| Reproductive toxicity | - | 0.5073 | 50.73% |
| Mitochondrial toxicity | + | 0.6625 | 66.25% |
| Nephrotoxicity | - | 0.7387 | 73.87% |
| Acute Oral Toxicity (c) | III | 0.5487 | 54.87% |
| Estrogen receptor binding | - | 0.7409 | 74.09% |
| Androgen receptor binding | - | 0.8374 | 83.74% |
| Thyroid receptor binding | - | 0.6467 | 64.67% |
| Glucocorticoid receptor binding | + | 0.5615 | 56.15% |
| Aromatase binding | - | 0.7768 | 77.68% |
| PPAR gamma | - | 0.8232 | 82.32% |
| Honey bee toxicity | - | 0.9810 | 98.10% |
| Biodegradation | - | 0.6750 | 67.50% |
| Crustacea aquatic toxicity | - | 0.9200 | 92.00% |
| Fish aquatic toxicity | - | 0.8441 | 84.41% |
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 | 99.60% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.41% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.01% | 93.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.44% | 92.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.38% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.76% | 99.17% |
| CHEMBL3776 | Q14790 | Caspase-8 | 89.59% | 97.06% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.11% | 89.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.04% | 99.35% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.00% | 100.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 86.51% | 97.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.41% | 90.20% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.96% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.40% | 97.21% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.53% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.44% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.03% | 94.33% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 80.14% | 92.26% |
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 | 6992567 |
| LOTUS | LTS0187974 |
| wikiData | Q27137211 |