(2S,3S,5S)-15-bromo-5-oxo-7-oxa-5lambda4-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12(17),13,15-tetraen-3-amine
| Internal ID | a31e0905-78ec-4c4e-b631-99dc28327288 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (2S,3S,5S)-15-bromo-5-oxo-7-oxa-5lambda4-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12(17),13,15-tetraen-3-amine |
| SMILES (Canonical) | C1CN2C(C(CS(=O)CO2)N)C3=C1C4=C(N3)C=C(C=C4)Br |
| SMILES (Isomeric) | C1CN2[C@@H]([C@@H](C[S@](=O)CO2)N)C3=C1C4=C(N3)C=C(C=C4)Br |
| InChI | InChI=1S/C14H16BrN3O2S/c15-8-1-2-9-10-3-4-18-14(13(10)17-12(9)5-8)11(16)6-21(19)7-20-18/h1-2,5,11,14,17H,3-4,6-7,16H2/t11-,14+,21+/m1/s1 |
| InChI Key | VIYOQMODIPHHDU-MGOULQTBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16BrN3O2S |
| Molecular Weight | 370.27 g/mol |
| Exact Mass | 369.01466 g/mol |
| Topological Polar Surface Area (TPSA) | 90.60 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2S,3S,5S)-15-bromo-5-oxo-7-oxa-5lambda4-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12(17),13,15-tetraen-3-amine](https://plantaedb.com/storage/docs/compounds/2023/11/1cf346c0-864d-11ee-9dae-379036e4fea1.jpg "2D Structure of (2S,3S,5S)-15-bromo-5-oxo-7-oxa-5lambda4-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12(17),13,15-tetraen-3-amine")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.17% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.83% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.42% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.21% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.00% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.44% | 95.89% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 88.52% | 80.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.08% | 80.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.48% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.24% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.91% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.55% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.50% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.29% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.60% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.30% | 100.00% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 80.93% | 96.11% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.85% | 93.18% |
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 | 163185807 |
| LOTUS | LTS0123823 |
| wikiData | Q105287100 |