Plakortamine A
| Internal ID | 4841d72b-20f9-43fa-a26c-938bc0ff37b0 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-N,N-dimethylethanamine |
| SMILES (Canonical) | CN(C)CCC1=NC=CC2=C1NC3=C2C=CC(=C3)Br |
| SMILES (Isomeric) | CN(C)CCC1=NC=CC2=C1NC3=C2C=CC(=C3)Br |
| InChI | InChI=1S/C15H16BrN3/c1-19(2)8-6-13-15-12(5-7-17-13)11-4-3-10(16)9-14(11)18-15/h3-5,7,9,18H,6,8H2,1-2H3 |
| InChI Key | IDDFVLLJLZRGBJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16BrN3 |
| Molecular Weight | 318.21 g/mol |
| Exact Mass | 317.05276 g/mol |
| Topological Polar Surface Area (TPSA) | 31.90 Ų |
| XlogP | 4.20 |
| CHEMBL483824 |
| 7-Bromo-1-(N,N-dimethylethylamino)- -carboline |
| [2-(7-Bromo-9H- -carbolin-1-yl)-ethyl]-dimethyl-amine |
| 2-(7-bromo-9H-beta-carbolin-1-yl)-N,N-dimethylethanamine |
| 9H-pyrido[3,4-b]indole-1-ethanamine, 7-bromo-N,N-dimethyl- |
| InChI=1/C15H16BrN3/c1-19(2)8-6-13-15-12(5-7-17-13)11-4-3-10(16)9-14(11)18-15/h3-5,7,9,18H,6,8H2,1-2H |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.59% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 95.99% | 93.24% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 95.95% | 89.92% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.98% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 91.06% | 90.71% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.03% | 97.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.84% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.48% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.35% | 91.11% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 88.26% | 93.53% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.90% | 85.30% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.71% | 85.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.55% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.36% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.05% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.16% | 88.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.72% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.19% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.87% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.06% | 90.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.59% | 93.10% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.69% | 87.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.15% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.56% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.53% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.51% | 86.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.44% | 89.44% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 5324375 |
| LOTUS | LTS0182086 |
| wikiData | Q105111282 |