Barakacin
| Internal ID | 9d875bd1-5718-47e2-85bb-d802f052f340 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-[4-[bis(1H-indol-3-yl)methyl]-1,3-thiazol-2-yl]phenol |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)C(C3=CNC4=CC=CC=C43)C5=CSC(=N5)C6=CC=CC=C6O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C(C3=CNC4=CC=CC=C43)C5=CSC(=N5)C6=CC=CC=C6O |
| InChI | InChI=1S/C26H19N3OS/c30-24-12-6-3-9-18(24)26-29-23(15-31-26)25(19-13-27-21-10-4-1-7-16(19)21)20-14-28-22-11-5-2-8-17(20)22/h1-15,25,27-28,30H |
| InChI Key | GRPVXIRSGACTEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H19N3OS |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.12488341 g/mol |
| Topological Polar Surface Area (TPSA) | 92.90 Ų |
| XlogP | 5.90 |
| 2-{4-[bis-(1h-indol-3-yl)]-methyl-thiazol-2-yl}-phenol |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.83% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.41% | 91.49% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 95.32% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.86% | 83.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.23% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.53% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.42% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.59% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.41% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.36% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.26% | 94.75% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 89.20% | 91.73% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 89.20% | 93.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.32% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.84% | 82.86% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.97% | 85.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.07% | 96.67% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.42% | 81.14% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 82.97% | 96.47% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.77% | 83.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.36% | 93.65% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.03% | 96.39% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.98% | 93.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.28% | 96.09% |
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 | 136173294 |
| LOTUS | LTS0040040 |
| wikiData | Q77512930 |