N(2)-succinyl-L-arginine
| Internal ID | de0e7a4a-8b8a-41f0-ae03-1e65da301bbb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids |
| IUPAC Name | (2S)-2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1 |
| InChI Key | UMOXFSXIFQOWTD-LURJTMIESA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C10H18N4O5 |
| Molecular Weight | 274.27 g/mol |
| Exact Mass | 274.12771969 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -2.20 |
| Atomic LogP (AlogP) | -1.53 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 9 |
| N2-succinyl-L-arginine |
| succinylarginine |
| succinyl-arginine |
| N-Succinyl-L-arginine |
| 2478-02-6 |
| N(alpha)-succinyl-L-arginine |
| N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE |
| (S)-2-(3-Carboxypropanamido)-5-guanidinopentanoic acid |
| N(2)-(3-carboxypropanoyl)-L-arginine |
| (2S)-5-carbamimidamido-2-[(3-carboxypropanoyl)amino]pentanoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.5823 | 58.23% |
| Caco-2 | - | 0.8620 | 86.20% |
| Blood Brain Barrier | + | 0.7250 | 72.50% |
| Human oral bioavailability | - | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.8416 | 84.16% |
| OATP2B1 inhibitior | - | 0.8521 | 85.21% |
| OATP1B1 inhibitior | + | 0.9159 | 91.59% |
| OATP1B3 inhibitior | + | 0.9496 | 94.96% |
| MATE1 inhibitior | - | 0.7200 | 72.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | - | 0.9682 | 96.82% |
| P-glycoprotein inhibitior | - | 0.9468 | 94.68% |
| P-glycoprotein substrate | - | 0.7686 | 76.86% |
| CYP3A4 substrate | - | 0.5602 | 56.02% |
| CYP2C9 substrate | - | 0.5764 | 57.64% |
| CYP2D6 substrate | - | 0.8344 | 83.44% |
| CYP3A4 inhibition | - | 0.8510 | 85.10% |
| CYP2C9 inhibition | - | 0.9035 | 90.35% |
| CYP2C19 inhibition | - | 0.9016 | 90.16% |
| CYP2D6 inhibition | - | 0.9226 | 92.26% |
| CYP1A2 inhibition | - | 0.9096 | 90.96% |
| CYP2C8 inhibition | - | 0.9660 | 96.60% |
| CYP inhibitory promiscuity | - | 0.9966 | 99.66% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8800 | 88.00% |
| Carcinogenicity (trinary) | Non-required | 0.6632 | 66.32% |
| Eye corrosion | - | 0.9902 | 99.02% |
| Eye irritation | - | 0.8940 | 89.40% |
| Skin irritation | - | 0.8291 | 82.91% |
| Skin corrosion | - | 0.9201 | 92.01% |
| Ames mutagenesis | - | 0.5600 | 56.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5170 | 51.70% |
| Micronuclear | + | 0.5200 | 52.00% |
| Hepatotoxicity | - | 0.7048 | 70.48% |
| skin sensitisation | - | 0.9048 | 90.48% |
| Respiratory toxicity | + | 0.6111 | 61.11% |
| Reproductive toxicity | - | 0.5778 | 57.78% |
| Mitochondrial toxicity | + | 0.6625 | 66.25% |
| Nephrotoxicity | + | 0.4731 | 47.31% |
| Acute Oral Toxicity (c) | III | 0.5171 | 51.71% |
| Estrogen receptor binding | - | 0.6266 | 62.66% |
| Androgen receptor binding | - | 0.8829 | 88.29% |
| Thyroid receptor binding | - | 0.7064 | 70.64% |
| Glucocorticoid receptor binding | - | 0.4720 | 47.20% |
| Aromatase binding | - | 0.7238 | 72.38% |
| PPAR gamma | + | 0.5986 | 59.86% |
| Honey bee toxicity | - | 0.9312 | 93.12% |
| Biodegradation | - | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | - | 0.8600 | 86.00% |
| Fish aquatic toxicity | - | 0.8480 | 84.80% |
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 | 99.59% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.56% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.78% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.57% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.19% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.65% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.32% | 90.71% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 88.00% | 96.80% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.54% | 96.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.16% | 99.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.19% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.05% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.57% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.57% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.57% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.20% | 92.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.85% | 96.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 439968 |
| LOTUS | LTS0004675 |
| wikiData | Q27102546 |