(2S)-2-acetamido-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
| Internal ID | 8d367dfb-6568-4276-a130-dc7c9f83e81b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | (2S)-2-acetamido-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H23N3O4/c1-12(22)21-16(18(24)25)8-4-5-9-19-17(23)10-13-11-20-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,20H,4-5,8-10H2,1H3,(H,19,23)(H,21,22)(H,24,25)/t16-/m0/s1 |
| InChI Key | LJHUZQXEGOLVCQ-INIZCTEOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H23N3O4 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.16885622 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2S)-2-acetamido-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-acetamido-6-2-1h-indol-3-ylacetylaminohexanoic-acid.jpg "2D Structure of (2S)-2-acetamido-6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.30% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.00% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.88% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.89% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.64% | 94.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.47% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.06% | 90.20% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.93% | 94.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.27% | 88.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.30% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.20% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.47% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.02% | 99.23% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 83.62% | 97.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.50% | 94.73% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.27% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.72% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.99% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.55% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.05% | 98.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.02% | 100.00% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.77% | 96.67% |
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 | 11013391 |
| LOTUS | LTS0206014 |
| wikiData | Q105152586 |