cyclo[DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Ala(fur-3-yl)(fur-3-yl)-DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Val]
| Internal ID | b1c9a439-f3e3-47e8-9f69-7c010ac13519 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3,6,12-tris(furan-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H34N4O7/c1-17(2)24-28(36)32(4)22(12-19-6-9-38-15-19)25(33)29-21(11-18-5-8-37-14-18)27(35)31(3)23(26(34)30-24)13-20-7-10-39-16-20/h5-10,14-17,21-24H,11-13H2,1-4H3,(H,29,33)(H,30,34) |
| InChI Key | VEZDPJCGIWZHLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34N4O7 |
| Molecular Weight | 538.60 g/mol |
| Exact Mass | 538.24274944 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Ala(fur-3-yl)(fur-3-yl)-DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-nmealafur-3-yl-dl-alafur-3-yl-dl-nmealafur-3-yl-dl-val.jpg "2D Structure of cyclo[DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Ala(fur-3-yl)(fur-3-yl)-DL-N(Me)Ala(fur-3-yl)(fur-3-yl)-DL-Val]")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1833 | P41595 | Serotonin 2b (5-HT2b) receptor |
770 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.66% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.99% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.26% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.16% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.04% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 92.34% | 98.57% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.04% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.03% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.14% | 95.93% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.17% | 89.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.86% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.88% | 88.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.01% | 83.82% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.66% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162814998 |
| LOTUS | LTS0115332 |
| wikiData | Q104199298 |