YM-266183
| Internal ID | f054e3ec-6472-41d1-94a9-bf594d6fed64 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 2-[2-[(26Z)-26-ethylidene-12,29-bis(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-oxo-1-(2-oxopropylamino)but-2-en-2-yl]-1,3-thiazole-4-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H47N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-18,20-21,32-33,35,63-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9- |
| InChI Key | QFPBQHRZGAWLEX-AUVWRIHKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C48H47N13O10S6 |
| Molecular Weight | 1158.40 g/mol |
| Exact Mass | 1157.18931179 g/mol |
| Topological Polar Surface Area (TPSA) | 512.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.60% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 97.87% | 93.03% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.59% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.22% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.53% | 89.63% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 95.44% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.67% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 92.31% | 83.10% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.70% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.12% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.63% | 96.90% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.48% | 92.88% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 90.26% | 80.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.77% | 90.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.50% | 85.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.95% | 98.59% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.88% | 91.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.66% | 85.14% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 87.25% | 88.81% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.18% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.02% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.27% | 93.56% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 85.05% | 92.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.49% | 97.25% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.98% | 98.05% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 82.92% | 81.58% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.81% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.66% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.77% | 96.39% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.64% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.58% | 90.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.00% | 96.67% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.79% | 91.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.70% | 100.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.56% | 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 | 101237083 |
| LOTUS | LTS0077360 |
| wikiData | Q103817117 |