(4R)-4-hydroxy-L-arginine
| Internal ID | 22581119-2cd1-4cd2-ba7d-bb0dd8d282d1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S,4R)-2-amino-5-(diaminomethylideneamino)-4-hydroxypentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1 |
| InChI Key | OPCBKDJCJYBGTQ-DMTCNVIQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C6H14N4O3 |
| Molecular Weight | 190.20 g/mol |
| Exact Mass | 190.10659032 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | -5.20 |
| Atomic LogP (AlogP) | -2.58 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 5 |
| CHEBI:47816 |
| (2S,4R)-2-amino-5-(diaminomethylideneamino)-4-hydroxypentanoic acid |
| (2S,4R)-2-amino-5-{[amino(imino)methyl]amino}-4-hydroxypentanoic acid |
| (2S,4R)-2-Amino-5-((amino(imino)methyl)amino)-4-hydroxypentanoic acid |
| RefChem:69524 |
| 98443-22-2 |
| (2S,4R)-2-Amino-5-guanidino-4-hydroxypentanoic acid |
| (2S,4R)-2-Amino-5-guanidino-4-hydroxypentanoicacid |
| Q27120808 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.7821 | 78.21% |
| Caco-2 | - | 0.9244 | 92.44% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | + | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.7236 | 72.36% |
| OATP2B1 inhibitior | - | 0.8537 | 85.37% |
| OATP1B1 inhibitior | + | 0.9500 | 95.00% |
| OATP1B3 inhibitior | + | 0.9363 | 93.63% |
| MATE1 inhibitior | - | 0.8600 | 86.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9591 | 95.91% |
| P-glycoprotein inhibitior | - | 0.9785 | 97.85% |
| P-glycoprotein substrate | - | 0.9308 | 93.08% |
| CYP3A4 substrate | - | 0.7167 | 71.67% |
| CYP2C9 substrate | - | 0.6007 | 60.07% |
| CYP2D6 substrate | - | 0.7559 | 75.59% |
| CYP3A4 inhibition | - | 0.9341 | 93.41% |
| CYP2C9 inhibition | - | 0.9383 | 93.83% |
| CYP2C19 inhibition | - | 0.9326 | 93.26% |
| CYP2D6 inhibition | - | 0.9287 | 92.87% |
| CYP1A2 inhibition | - | 0.9032 | 90.32% |
| CYP2C8 inhibition | - | 0.9743 | 97.43% |
| CYP inhibitory promiscuity | - | 0.9940 | 99.40% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.8700 | 87.00% |
| Carcinogenicity (trinary) | Non-required | 0.6915 | 69.15% |
| Eye corrosion | - | 0.9875 | 98.75% |
| Eye irritation | - | 0.7731 | 77.31% |
| Skin irritation | - | 0.8063 | 80.63% |
| Skin corrosion | - | 0.9373 | 93.73% |
| Ames mutagenesis | + | 0.5500 | 55.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7564 | 75.64% |
| Micronuclear | + | 0.6100 | 61.00% |
| Hepatotoxicity | + | 0.5588 | 55.88% |
| skin sensitisation | - | 0.8584 | 85.84% |
| Respiratory toxicity | - | 0.6111 | 61.11% |
| Reproductive toxicity | - | 0.5667 | 56.67% |
| Mitochondrial toxicity | + | 0.6250 | 62.50% |
| Nephrotoxicity | - | 0.6357 | 63.57% |
| Acute Oral Toxicity (c) | IV | 0.5113 | 51.13% |
| Estrogen receptor binding | - | 0.8564 | 85.64% |
| Androgen receptor binding | - | 0.7472 | 74.72% |
| Thyroid receptor binding | - | 0.7473 | 74.73% |
| Glucocorticoid receptor binding | - | 0.8129 | 81.29% |
| Aromatase binding | - | 0.8154 | 81.54% |
| PPAR gamma | - | 0.7762 | 77.62% |
| Honey bee toxicity | - | 0.9254 | 92.54% |
| Biodegradation | + | 0.5750 | 57.50% |
| Crustacea aquatic toxicity | - | 0.9100 | 91.00% |
| Fish aquatic toxicity | - | 0.9679 | 96.79% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.68% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.41% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.94% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.49% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.14% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.03% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.88% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 17756747 |
| NPASS | NPC54574 |
| LOTUS | LTS0220380 |
| wikiData | Q27120808 |