(1R,9R,19S,21S)-5,7-dibromo-21-chloro-20,20-dimethyl-2,12,16,18-tetrazahexacyclo[10.10.0.01,9.02,19.03,8.015,19]docosa-3(8),4,6,13,15-pentaene-11,17-dione
| Internal ID | 0b677c8d-534e-4677-8588-2e4a5d69f8b9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (1R,9R,19S,21S)-5,7-dibromo-21-chloro-20,20-dimethyl-2,12,16,18-tetrazahexacyclo[10.10.0.01,9.02,19.03,8.015,19]docosa-3(8),4,6,13,15-pentaene-11,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17Br2ClN4O2/c1-18(2)13(23)8-19-10-7-15(28)26(19)4-3-14-20(18,25-17(29)24-14)27(19)12-6-9(21)5-11(22)16(10)12/h3-6,10,13H,7-8H2,1-2H3,(H,25,29)/t10-,13+,19+,20-/m1/s1 |
| InChI Key | KEXODAJSSVPALY-WDFHTVOWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H17Br2ClN4O2 |
| Molecular Weight | 540.60 g/mol |
| Exact Mass | 539.93863 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1R,9R,19S,21S)-5,7-dibromo-21-chloro-20,20-dimethyl-2,12,16,18-tetrazahexacyclo[10.10.0.01,9.02,19.03,8.015,19]docosa-3(8),4,6,13,15-pentaene-11,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/be626c80-83c7-11ee-97ca-4b32e7351e9c.jpg "2D Structure of (1R,9R,19S,21S)-5,7-dibromo-21-chloro-20,20-dimethyl-2,12,16,18-tetrazahexacyclo[10.10.0.01,9.02,19.03,8.015,19]docosa-3(8),4,6,13,15-pentaene-11,17-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.07% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 95.45% | 95.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.39% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.11% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.81% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.52% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.52% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.38% | 85.14% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 90.33% | 80.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.85% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.74% | 90.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.99% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.51% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.59% | 89.34% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.54% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.29% | 86.33% |
| CHEMBL3242 | O43570 | Carbonic anhydrase XII | 84.30% | 97.37% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.24% | 85.11% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 82.95% | 88.84% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.64% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.74% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.67% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.27% | 92.98% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.08% | 97.33% |
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 | 10768809 |
| LOTUS | LTS0132636 |
| wikiData | Q105140241 |