N-(3-carboxy-1-oxopropyl)-L-glutamic acid
| Internal ID | 2ee1aed6-4435-4f54-9810-b380ede3d70e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | (2S)-2-(3-carboxypropanoylamino)pentanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1 |
| InChI Key | JCNBNOQGFSXOML-YFKPBYRVSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C9H13NO7 |
| Molecular Weight | 247.20 g/mol |
| Exact Mass | 247.06920175 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | -1.50 |
| Atomic LogP (AlogP) | -0.71 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 8 |
| 33981-72-5 |
| N-(3-carboxy-1-oxopropyl)-L-glutamic acid |
| RefChem:926767 |
| N(2)-succinyl-L-glutamic acid |
| (2S)-2-(3-Carboxypropanoylamino)pentanedioic acid |
| N2-Succinyl-L-glutamate |
| (3-carboxypropanoyl)-L-glutamic acid |
| N-Succinyl-L-glutamate |
| L-Glutamic acid, N-(3-carboxy-1-oxopropyl)- |
| N2-succinylglutamate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.5307 | 53.07% |
| Caco-2 | - | 0.9242 | 92.42% |
| Blood Brain Barrier | + | 0.8500 | 85.00% |
| Human oral bioavailability | - | 0.7000 | 70.00% |
| Subcellular localzation | Mitochondria | 0.8188 | 81.88% |
| OATP2B1 inhibitior | - | 0.8509 | 85.09% |
| OATP1B1 inhibitior | + | 0.9249 | 92.49% |
| OATP1B3 inhibitior | + | 0.9539 | 95.39% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9822 | 98.22% |
| BSEP inhibitior | - | 0.9844 | 98.44% |
| P-glycoprotein inhibitior | - | 0.9848 | 98.48% |
| P-glycoprotein substrate | - | 0.9594 | 95.94% |
| CYP3A4 substrate | - | 0.6671 | 66.71% |
| CYP2C9 substrate | + | 0.7977 | 79.77% |
| CYP2D6 substrate | - | 0.8541 | 85.41% |
| CYP3A4 inhibition | - | 0.9672 | 96.72% |
| CYP2C9 inhibition | - | 0.9695 | 96.95% |
| CYP2C19 inhibition | - | 0.9688 | 96.88% |
| CYP2D6 inhibition | - | 0.9572 | 95.72% |
| CYP1A2 inhibition | - | 0.9562 | 95.62% |
| CYP2C8 inhibition | - | 0.9916 | 99.16% |
| CYP inhibitory promiscuity | - | 0.9930 | 99.30% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.9300 | 93.00% |
| Carcinogenicity (trinary) | Non-required | 0.7376 | 73.76% |
| Eye corrosion | - | 0.9829 | 98.29% |
| Eye irritation | - | 0.7666 | 76.66% |
| Skin irritation | - | 0.8968 | 89.68% |
| Skin corrosion | - | 0.8429 | 84.29% |
| Ames mutagenesis | - | 0.8300 | 83.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7056 | 70.56% |
| Micronuclear | - | 0.6100 | 61.00% |
| Hepatotoxicity | - | 0.6573 | 65.73% |
| skin sensitisation | - | 0.9718 | 97.18% |
| Respiratory toxicity | - | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.6556 | 65.56% |
| Mitochondrial toxicity | - | 0.5375 | 53.75% |
| Nephrotoxicity | - | 0.5929 | 59.29% |
| Acute Oral Toxicity (c) | IV | 0.5424 | 54.24% |
| Estrogen receptor binding | - | 0.7134 | 71.34% |
| Androgen receptor binding | - | 0.8884 | 88.84% |
| Thyroid receptor binding | - | 0.7822 | 78.22% |
| Glucocorticoid receptor binding | - | 0.5831 | 58.31% |
| Aromatase binding | - | 0.8189 | 81.89% |
| PPAR gamma | - | 0.5986 | 59.86% |
| Honey bee toxicity | - | 0.9382 | 93.82% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.8600 | 86.00% |
| Fish aquatic toxicity | - | 0.7994 | 79.94% |
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 | 99.53% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.54% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.12% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.76% | 90.20% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.40% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.22% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.65% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.35% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.00% | 92.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.47% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.48% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 440847 |
| LOTUS | LTS0269824 |
| wikiData | Q27104641 |