4-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-butoxy-5-oxopentanoic acid
| Internal ID | 3dd94e78-bb4a-429a-b330-db78402d46e7 |
| 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 | 4-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-butoxy-5-oxopentanoic acid |
| SMILES (Canonical) | CCCCOC(=O)C(CCC(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(=O)C |
| SMILES (Isomeric) | CCCCOC(=O)C(CCC(=O)O)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(=O)C |
| InChI | InChI=1S/C23H25N3O6/c1-3-4-11-32-23(31)17(9-10-19(28)29)26-22(30)18-12-15-14-7-5-6-8-16(14)24-21(15)20(25-18)13(2)27/h5-8,12,17,24H,3-4,9-11H2,1-2H3,(H,26,30)(H,28,29) |
| InChI Key | BKMWCGBCBLMQHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25N3O6 |
| Molecular Weight | 439.50 g/mol |
| Exact Mass | 439.17433553 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 4-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-butoxy-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-1-acetyl-9h-pyrido34-bindole-3-carbonylamino-5-butoxy-5-oxopentanoic-acid.jpg "2D Structure of 4-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-5-butoxy-5-oxopentanoic 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 | 98.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.33% | 99.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 95.23% | 97.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.78% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.47% | 94.62% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 90.82% | 89.92% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.74% | 92.08% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.35% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.03% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.75% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.33% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.13% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.70% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.02% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.66% | 92.67% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.57% | 87.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.78% | 91.81% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.64% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.12% | 91.49% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.74% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.52% | 86.33% |
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.
To see more specific details click the taxa you are interested in.
| Stellaria dichotoma |
| PubChem | 77916116 |
| LOTUS | LTS0209372 |
| wikiData | Q104937694 |