Leucyl-4-hydroxyproline
| Internal ID | 0e537a54-922d-4c4e-98e3-a2a0c549ac25 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H20N2O4/c1-6(2)3-9(11(16)17)13-10(15)8-4-7(14)5-12-8/h6-9,12,14H,3-5H2,1-2H3,(H,13,15)(H,16,17) |
| InChI Key | LQFJGLSIESIIOM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H20N2O4 |
| Molecular Weight | 244.29 g/mol |
| Exact Mass | 244.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 98.70 Ų |
| XlogP | -3.40 |
| Atomic LogP (AlogP) | -0.68 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 5 |
| l-hydroxyprolyl-l-leucine |
| HPL dipeptide |
| HP-L dipeptide |
| HPro-Leu |
| Hydroxyprolylleucine |
| Hydroxyproline Leucine dipeptide |
| Hydroxyproline-Leucine dipeptide |
| SCHEMBL17867215 |
| CHEBI:176441 |
| 2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methylpentanoic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.6249 | 62.49% |
| Caco-2 | - | 0.7676 | 76.76% |
| Blood Brain Barrier | - | 0.7750 | 77.50% |
| Human oral bioavailability | - | 0.5000 | 50.00% |
| Subcellular localzation | Mitochondria | 0.6826 | 68.26% |
| OATP2B1 inhibitior | - | 0.8464 | 84.64% |
| OATP1B1 inhibitior | + | 0.9167 | 91.67% |
| OATP1B3 inhibitior | + | 0.9363 | 93.63% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9792 | 97.92% |
| P-glycoprotein inhibitior | - | 0.9504 | 95.04% |
| P-glycoprotein substrate | - | 0.5721 | 57.21% |
| CYP3A4 substrate | + | 0.5076 | 50.76% |
| CYP2C9 substrate | - | 0.6007 | 60.07% |
| CYP2D6 substrate | - | 0.7560 | 75.60% |
| CYP3A4 inhibition | - | 0.9970 | 99.70% |
| CYP2C9 inhibition | - | 0.9521 | 95.21% |
| CYP2C19 inhibition | - | 0.9505 | 95.05% |
| CYP2D6 inhibition | - | 0.9433 | 94.33% |
| CYP1A2 inhibition | - | 0.9565 | 95.65% |
| CYP2C8 inhibition | - | 0.9726 | 97.26% |
| CYP inhibitory promiscuity | - | 0.9829 | 98.29% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.9000 | 90.00% |
| Carcinogenicity (trinary) | Non-required | 0.7074 | 70.74% |
| Eye corrosion | - | 0.9878 | 98.78% |
| Eye irritation | - | 0.9772 | 97.72% |
| Skin irritation | - | 0.8088 | 80.88% |
| Skin corrosion | - | 0.9387 | 93.87% |
| Ames mutagenesis | - | 0.5600 | 56.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8469 | 84.69% |
| Micronuclear | + | 0.6700 | 67.00% |
| Hepatotoxicity | + | 0.5158 | 51.58% |
| skin sensitisation | - | 0.8978 | 89.78% |
| Respiratory toxicity | + | 0.6222 | 62.22% |
| Reproductive toxicity | + | 0.7222 | 72.22% |
| Mitochondrial toxicity | + | 0.6750 | 67.50% |
| Nephrotoxicity | - | 0.7509 | 75.09% |
| Acute Oral Toxicity (c) | III | 0.6176 | 61.76% |
| Estrogen receptor binding | + | 0.5658 | 56.58% |
| Androgen receptor binding | - | 0.7667 | 76.67% |
| Thyroid receptor binding | - | 0.5799 | 57.99% |
| Glucocorticoid receptor binding | - | 0.4647 | 46.47% |
| Aromatase binding | - | 0.7436 | 74.36% |
| PPAR gamma | - | 0.6821 | 68.21% |
| Honey bee toxicity | - | 0.9051 | 90.51% |
| Biodegradation | - | 0.7000 | 70.00% |
| Crustacea aquatic toxicity | - | 0.7900 | 79.00% |
| Fish aquatic toxicity | - | 0.8000 | 80.00% |
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 | 98.77% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.46% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 95.45% | 98.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.99% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.95% | 96.61% |
| CHEMBL268 | P43235 | Cathepsin K | 94.60% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.13% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.27% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.13% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.00% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.51% | 97.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.07% | 92.29% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.40% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.96% | 100.00% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 87.05% | 92.80% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.01% | 85.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.87% | 97.25% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.95% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.48% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.62% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.51% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.33% | 91.19% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.46% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.27% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.78% | 98.33% |
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 | 21777566 |
| LOTUS | LTS0141687 |
| wikiData | Q77495379 |