(7S)-7-(1H-indol-3-ylmethyl)-7,14-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-dione
| Internal ID | d1fa809a-9dcb-4f53-ad17-a96dc26ee5ff |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | (7S)-7-(1H-indol-3-ylmethyl)-7,14-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-dione |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N=C4C=CC=CC4=C5N3C(=O)C6=CC=CC=C6N5 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N=C4C=CC=CC4=C5N3C(=O)C6=CC=CC=C6N5 |
| InChI | InChI=1S/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26-27H,13H2/t22-/m0/s1 |
| InChI Key | FPMPIGZORJWWJX-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H18N4O2 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.14297583 g/mol |
| Topological Polar Surface Area (TPSA) | 77.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (7S)-7-(1H-indol-3-ylmethyl)-7,14-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7s-7-1h-indol-3-ylmethyl-714-dihydroquinazolino32-d14benzodiazepine-69-dione.jpg "2D Structure of (7S)-7-(1H-indol-3-ylmethyl)-7,14-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 93.35% | 91.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.60% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.46% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.18% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.99% | 94.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.39% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.09% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.65% | 98.59% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.47% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.01% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.91% | 93.03% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.85% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.26% | 92.62% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.20% | 91.76% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.17% | 89.62% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.55% | 91.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.69% | 97.64% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.46% | 92.67% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.46% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.46% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.43% | 80.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.74% | 96.90% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.52% | 83.82% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.27% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.02% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.91% | 96.25% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.09% | 96.67% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.07% | 91.43% |
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.
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| There are no matching plants. |
| PubChem | 5487924 |
| LOTUS | LTS0168997 |
| wikiData | Q104999272 |