Versiquinazoline I
| Internal ID | d481781b-8a7e-495b-9ac0-e45e11904286 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (4S)-10-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H16N4O3/c25-16-7-3-5-13-18(16)23-17-10-22-19(26)15(24(17)20(13)27)8-11-9-21-14-6-2-1-4-12(11)14/h1-7,9,15,21,25H,8,10H2,(H,22,26)/t15-/m0/s1 |
| InChI Key | FYNCCCIMEWMEME-HNNXBMFYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H16N4O3 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12224039 g/mol |
| Topological Polar Surface Area (TPSA) | 97.80 Ų |
| XlogP | 1.80 |
| CHEMBL4083575 |
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.07% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.58% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.01% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.58% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.34% | 94.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.34% | 96.39% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.77% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.51% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.81% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.21% | 92.62% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.15% | 94.62% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 89.11% | 95.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.10% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.74% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.06% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.82% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.80% | 83.10% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.53% | 97.64% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.13% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.64% | 97.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.06% | 97.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.21% | 99.15% |
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 | 137646756 |
| LOTUS | LTS0191825 |
| wikiData | Q105004575 |