3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
| Internal ID | 2c24b714-90b4-4346-8f37-76e1bc6ce348 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H22N4O5/c1-22(2)21(31)27-16-10-6-4-8-14(16)23(32,20(27)25-22)11-17(19(29)30)26-12-24-15-9-5-3-7-13(15)18(26)28/h3-10,12,17,20,25,32H,11H2,1-2H3,(H,29,30) |
| InChI Key | BMFPATPGMGPSGR-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H22N4O5 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.15901982 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | -1.50 |
| NCGC00380812-02 |
| 3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid |
| NCGC00380812-01!3-(4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid |
![2D Structure of 3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0776fd30-8731-11ee-b57b-8b3531036566.jpg "2D Structure of 3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.34% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.55% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.49% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.21% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.19% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.52% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.00% | 97.00% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 82.65% | 87.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.57% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.55% | 90.00% |
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 | 45359180 |
| LOTUS | LTS0203191 |
| wikiData | Q103816857 |