N-[[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methyl]ethanamine
| Internal ID | 235145f9-93ad-44a7-87c8-f9cd7ae3bd2c |
| Taxonomy | Organohalogen compounds > Aryl halides > Aryl bromides |
| IUPAC Name | N-[[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methyl]ethanamine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H14BrN3O/c1-3-14-7-10-11(17-2)6-9(15-10)8-4-5-12(13)16-8/h4-7,14,16H,3H2,1-2H3 |
| InChI Key | HGYCGMMTEYWTCE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14BrN3O |
| Molecular Weight | 296.16 g/mol |
| Exact Mass | 295.03202 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of N-[[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methyl]ethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/n-5-5-bromo-1h-pyrrol-2-yl-3-methoxypyrrol-2-ylidenemethylethanamine.jpg "2D Structure of N-[[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methyl]ethanamine")
| 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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 96.96% | 85.30% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.71% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.20% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.79% | 89.63% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.72% | 96.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.60% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.58% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.64% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.85% | 98.95% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 85.29% | 93.24% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.19% | 91.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.77% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.52% | 94.73% |
| CHEMBL4070 | P19784 | Casein kinase II alpha (prime) | 83.49% | 91.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.83% | 98.75% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.07% | 89.32% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.47% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.44% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.23% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.60% | 99.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73097784 |
| LOTUS | LTS0072807 |
| wikiData | Q105028070 |