Barbamide
| Internal ID | 349ecdf8-7200-4a85-aa84-8434a7014a7f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenethylamines > Amphetamines and derivatives |
| IUPAC Name | (E)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+ |
| InChI Key | UGNRFJOMRFTXSQ-DTQAZKPQSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C20H23Cl3N2O2S |
| Molecular Weight | 461.80 g/mol |
| Exact Mass | 460.054582 g/mol |
| Topological Polar Surface Area (TPSA) | 70.70 Ų |
| XlogP | 5.40 |
| SCHEMBL1269469 |
| 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 | 99.39% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.97% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.42% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.34% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.82% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.53% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.02% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.11% | 90.24% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.09% | 93.04% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.24% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.71% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.60% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.13% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.18% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.96% | 90.20% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.62% | 89.67% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 10695334 |
| LOTUS | LTS0095406 |
| wikiData | Q105272462 |