3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-1-methylquinazoline-2,4-dione
| Internal ID | e84d5a6a-6c86-4e61-8aca-bd8b2b3baa94 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-1-methylquinazoline-2,4-dione |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3(C4=CC=CC=C4NC3=O)O |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)N(C1=O)CC[C@]3(C4=CC=CC=C4NC3=O)O |
| InChI | InChI=1S/C19H17N3O4/c1-21-15-9-5-2-6-12(15)16(23)22(18(21)25)11-10-19(26)13-7-3-4-8-14(13)20-17(19)24/h2-9,26H,10-11H2,1H3,(H,20,24)/t19-/m1/s1 |
| InChI Key | FBBSGIRWWJHAEU-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H17N3O4 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.12190603 g/mol |
| Topological Polar Surface Area (TPSA) | 90.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-1-methylquinazoline-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-3r-3-hydroxy-2-oxo-1h-indol-3-ylethyl-1-methylquinazoline-24-dione.jpg "2D Structure of 3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-1-methylquinazoline-2,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL255 | P29275 | Adenosine A2b receptor | 98.65% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.69% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.19% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.49% | 85.14% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.63% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.50% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.43% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.47% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.09% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.24% | 94.00% |
| CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 82.04% | 91.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.97% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 154497691 |
| LOTUS | LTS0028519 |
| wikiData | Q104992547 |