L-leucyl-L-arginine
| Internal ID | 32260a1b-d013-48bf-a72b-6d81fef85c3a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t8-,9-/m0/s1 |
| InChI Key | SENJXOPIZNYLHU-IUCAKERBSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C12H25N5O3 |
| Molecular Weight | 287.36 g/mol |
| Exact Mass | 287.19573968 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | -4.00 |
| Atomic LogP (AlogP) | -1.02 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 9 |
| L-Leucyl-L-arginine |
| 26607-15-8 |
| H-LEU-ARG-OH |
| Leu-arg |
| Leucyl-arginine |
| H-Leu-Arg-OH.AcOH |
| L-Leu-L-Arg |
| L-Arginine, N2-L-leucyl- |
| SCHEMBL7098633 |
| CHEBI:73528 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8448 | 84.48% |
| Caco-2 | - | 0.7931 | 79.31% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | - | 0.5571 | 55.71% |
| Subcellular localzation | Mitochondria | 0.7328 | 73.28% |
| OATP2B1 inhibitior | - | 0.8504 | 85.04% |
| OATP1B1 inhibitior | + | 0.9399 | 93.99% |
| OATP1B3 inhibitior | + | 0.9483 | 94.83% |
| MATE1 inhibitior | - | 0.8200 | 82.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9559 | 95.59% |
| P-glycoprotein inhibitior | - | 0.8955 | 89.55% |
| P-glycoprotein substrate | + | 0.5215 | 52.15% |
| CYP3A4 substrate | - | 0.5106 | 51.06% |
| CYP2C9 substrate | + | 0.5928 | 59.28% |
| CYP2D6 substrate | - | 0.8178 | 81.78% |
| CYP3A4 inhibition | - | 0.9028 | 90.28% |
| CYP2C9 inhibition | - | 0.8575 | 85.75% |
| CYP2C19 inhibition | - | 0.8198 | 81.98% |
| CYP2D6 inhibition | - | 0.9200 | 92.00% |
| CYP1A2 inhibition | - | 0.9092 | 90.92% |
| CYP2C8 inhibition | - | 0.9634 | 96.34% |
| CYP inhibitory promiscuity | - | 0.9936 | 99.36% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7900 | 79.00% |
| Carcinogenicity (trinary) | Non-required | 0.6757 | 67.57% |
| Eye corrosion | - | 0.9827 | 98.27% |
| Eye irritation | - | 0.9782 | 97.82% |
| Skin irritation | - | 0.8026 | 80.26% |
| Skin corrosion | - | 0.9168 | 91.68% |
| Ames mutagenesis | - | 0.5154 | 51.54% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5961 | 59.61% |
| Micronuclear | + | 0.5400 | 54.00% |
| Hepatotoxicity | - | 0.5673 | 56.73% |
| skin sensitisation | - | 0.8700 | 87.00% |
| Respiratory toxicity | + | 0.6333 | 63.33% |
| Reproductive toxicity | + | 0.5091 | 50.91% |
| Mitochondrial toxicity | + | 0.6125 | 61.25% |
| Nephrotoxicity | + | 0.5166 | 51.66% |
| Acute Oral Toxicity (c) | III | 0.6513 | 65.13% |
| Estrogen receptor binding | - | 0.5894 | 58.94% |
| Androgen receptor binding | - | 0.7150 | 71.50% |
| Thyroid receptor binding | + | 0.5334 | 53.34% |
| Glucocorticoid receptor binding | - | 0.4683 | 46.83% |
| Aromatase binding | - | 0.7252 | 72.52% |
| PPAR gamma | - | 0.6262 | 62.62% |
| Honey bee toxicity | - | 0.9619 | 96.19% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.8100 | 81.00% |
| Fish aquatic toxicity | - | 0.6233 | 62.33% |
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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.05% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.00% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.17% | 96.61% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.57% | 99.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.74% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.42% | 92.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.54% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.36% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.96% | 96.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.91% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.80% | 90.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.51% | 98.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.21% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.92% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.89% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.02% | 93.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.65% | 90.20% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.51% | 98.10% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 86.15% | 96.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.71% | 97.29% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.51% | 97.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.02% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.66% | 97.06% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.34% | 96.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.85% | 93.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.79% | 87.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.29% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.54% | 89.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.22% | 97.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 152914 |
| LOTUS | LTS0021007 |
| wikiData | Q27140610 |