Colibactin prodrug motif
| Internal ID | b5cb6e35-9e7a-422c-a65f-2373d412c241 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Asparagine and derivatives |
| IUPAC Name | (2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1 |
| InChI Key | XCYGCBVZSVXYON-OAHLLOKOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H34N2O4 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.25185757 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 4.30 |
| SCHEMBL21724437 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.53% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.91% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.31% | 95.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.29% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.28% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.89% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.41% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.56% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.10% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.02% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.95% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.73% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.53% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.25% | 91.81% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.37% | 90.20% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.36% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.72% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.02% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.83% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.31% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.46% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.28% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.46% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.08% | 93.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 102500690 |
| LOTUS | LTS0073009 |
| wikiData | Q105325546 |