6-[(1S)-1-[(3aS,8bR)-6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one
| Internal ID | 2e3a350a-0b61-46ac-81df-5ce6a4035d68 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 6-[(1S)-1-[(3aS,8bR)-6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26BrN7O/c1-5-13(16-11-25-18-17(26-16)19(31)30(4)21(24)29(18)3)22-8-9-28(2)20(22)27-15-10-12(23)6-7-14(15)22/h6-7,10-11,13,20,24,27H,5,8-9H2,1-4H3/t13-,20+,22-/m1/s1 |
| InChI Key | OAMCMYOSSAKFJX-ZTHZXAOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26BrN7O |
| Molecular Weight | 484.40 g/mol |
| Exact Mass | 483.13822 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 6-[(1S)-1-[(3aS,8bR)-6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4877ec40-870f-11ee-99c5-c343dcb0b587.jpg "2D Structure of 6-[(1S)-1-[(3aS,8bR)-6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]propyl]-2-imino-1,3-dimethylpteridin-4-one")
| 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 | 98.79% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.65% | 93.40% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.61% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 98.55% | 89.76% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.84% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.59% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.10% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.49% | 90.71% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 92.72% | 89.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.13% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.64% | 85.14% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.37% | 93.67% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.85% | 92.97% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.23% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.94% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.42% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.06% | 91.03% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.74% | 93.65% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.21% | 83.82% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.12% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.34% | 86.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.29% | 96.39% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.14% | 97.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.06% | 94.42% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.97% | 92.94% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 83.76% | 98.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.58% | 82.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.96% | 96.90% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.95% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.25% | 93.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.04% | 100.00% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 81.06% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.95% | 96.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.70% | 100.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.51% | 92.68% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.29% | 96.25% |
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 | 10051009 |
| LOTUS | LTS0220528 |
| wikiData | Q105188740 |