O-ureido-L-serine
| Internal ID | 4b24d4ee-ddd8-4f1a-8d82-e3833fb6c2b7 |
| 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)-2-amino-3-(carbamoylamino)oxypropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1 |
| InChI Key | ZFLDWYJOQSXISF-REOHCLBHSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C4H9N3O4 |
| Molecular Weight | 163.13 g/mol |
| Exact Mass | 163.05930578 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | -4.60 |
| Atomic LogP (AlogP) | -2.00 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 4 |
| Rotatable Bonds | 4 |
| O-(carbamoylamino)-L-serine |
| 67799-13-7 |
| CHEBI:73536 |
| DTXSID30720840 |
| (2S)-2-Amino-3-(carbamoylamino)oxypropanoic acid |
| RefChem:1093718 |
| DTXCID30671585 |
| (2S)-2-azaniumyl-3-(carbamoylamino)oxypropanoate |
| O-ureidoserine |
| C20639 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.5744 | 57.44% |
| Caco-2 | - | 0.9720 | 97.20% |
| Blood Brain Barrier | + | 0.7750 | 77.50% |
| Human oral bioavailability | + | 0.6857 | 68.57% |
| Subcellular localzation | Mitochondria | 0.6235 | 62.35% |
| OATP2B1 inhibitior | - | 0.8540 | 85.40% |
| OATP1B1 inhibitior | + | 0.9753 | 97.53% |
| OATP1B3 inhibitior | + | 0.9342 | 93.42% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 1.0000 | 100.00% |
| BSEP inhibitior | - | 0.9509 | 95.09% |
| P-glycoprotein inhibitior | - | 0.9889 | 98.89% |
| P-glycoprotein substrate | - | 0.9622 | 96.22% |
| CYP3A4 substrate | - | 0.7305 | 73.05% |
| CYP2C9 substrate | - | 0.6124 | 61.24% |
| CYP2D6 substrate | - | 0.8014 | 80.14% |
| CYP3A4 inhibition | - | 0.7819 | 78.19% |
| CYP2C9 inhibition | - | 0.8759 | 87.59% |
| CYP2C19 inhibition | - | 0.8493 | 84.93% |
| CYP2D6 inhibition | - | 0.8971 | 89.71% |
| CYP1A2 inhibition | - | 0.8736 | 87.36% |
| CYP2C8 inhibition | - | 0.9803 | 98.03% |
| CYP inhibitory promiscuity | - | 0.9824 | 98.24% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7100 | 71.00% |
| Carcinogenicity (trinary) | Non-required | 0.5627 | 56.27% |
| Eye corrosion | - | 0.9798 | 97.98% |
| Eye irritation | - | 0.9854 | 98.54% |
| Skin irritation | - | 0.7500 | 75.00% |
| Skin corrosion | - | 0.9345 | 93.45% |
| Ames mutagenesis | - | 0.6000 | 60.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7061 | 70.61% |
| Micronuclear | + | 0.9200 | 92.00% |
| Hepatotoxicity | + | 0.6151 | 61.51% |
| skin sensitisation | - | 0.8645 | 86.45% |
| Respiratory toxicity | - | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.5444 | 54.44% |
| Mitochondrial toxicity | + | 0.7375 | 73.75% |
| Nephrotoxicity | - | 0.6538 | 65.38% |
| Acute Oral Toxicity (c) | III | 0.5530 | 55.30% |
| Estrogen receptor binding | - | 0.9002 | 90.02% |
| Androgen receptor binding | - | 0.7872 | 78.72% |
| Thyroid receptor binding | - | 0.8362 | 83.62% |
| Glucocorticoid receptor binding | - | 0.8488 | 84.88% |
| Aromatase binding | - | 0.8020 | 80.20% |
| PPAR gamma | - | 0.6930 | 69.30% |
| Honey bee toxicity | - | 0.8974 | 89.74% |
| Biodegradation | + | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.9200 | 92.00% |
| Fish aquatic toxicity | - | 0.7153 | 71.53% |
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 | 94.91% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.74% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.60% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.77% | 96.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 90.39% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.04% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.60% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.56% | 90.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.27% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.57% | 97.93% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.47% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.15% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.24% | 94.33% |
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 | 57328746 |
| LOTUS | LTS0211228 |
| wikiData | Q27140482 |