2-[[2,3-dihydroxy-2-methyl-3-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]benzamide
| Internal ID | 034fa411-5f03-4427-aa92-fbcf5aa8aa10 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 2-[[2,3-dihydroxy-2-methyl-3-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20N4O5/c1-19(28,17-22-14-10-6-4-8-12(14)16(26)24-17)20(2,29)18(27)23-13-9-5-3-7-11(13)15(21)25/h3-10,28-29H,1-2H3,(H2,21,25)(H,23,27)(H,22,24,26) |
| InChI Key | KYKOXPRKACLASR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N4O5 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.14336975 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 2-[[2,3-dihydroxy-2-methyl-3-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/2-23-dihydroxy-2-methyl-3-4-oxo-3h-quinazolin-2-ylbutanoylaminobenzamide.jpg "2D Structure of 2-[[2,3-dihydroxy-2-methyl-3-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.85% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.42% | 99.23% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 97.35% | 87.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.04% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.14% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.59% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.21% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.77% | 98.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.34% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.95% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.97% | 95.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.25% | 85.83% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.16% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.59% | 92.29% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.82% | 80.71% |
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 | 162816516 |
| LOTUS | LTS0211895 |
| wikiData | Q104170706 |