cyclo[DL-Asn(3-OH)-DL-Trp(5-Cl)-DL-Val-DL-Phe-DL-xiIle-DL-Orn]
| Internal ID | b1b7818a-323a-4e8a-b79f-de8f22f1e7ed |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-[17-(3-aminopropyl)-11-benzyl-14-butan-2-yl-5-[(5-chloro-1H-indol-3-yl)methyl]-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H54ClN9O8/c1-5-21(4)31-39(57)45-27(12-9-15-42)35(53)50-32(33(51)34(43)52)40(58)47-29(17-23-19-44-26-14-13-24(41)18-25(23)26)37(55)48-30(20(2)3)38(56)46-28(36(54)49-31)16-22-10-7-6-8-11-22/h6-8,10-11,13-14,18-21,27-33,44,51H,5,9,12,15-17,42H2,1-4H3,(H2,43,52)(H,45,57)(H,46,56)(H,47,58)(H,48,55)(H,49,54)(H,50,53) |
| InChI Key | AUAKLAUQIRQCCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H54ClN9O8 |
| Molecular Weight | 824.40 g/mol |
| Exact Mass | 823.3783874 g/mol |
| Topological Polar Surface Area (TPSA) | 280.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Asn(3-OH)-DL-Trp(5-Cl)-DL-Val-DL-Phe-DL-xiIle-DL-Orn]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asn3-oh-dl-trp5-cl-dl-val-dl-phe-dl-xiile-dl-orn.jpg "2D Structure of cyclo[DL-Asn(3-OH)-DL-Trp(5-Cl)-DL-Val-DL-Phe-DL-xiIle-DL-Orn]")
| 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 | 99.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.95% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.55% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.90% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.74% | 91.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.49% | 92.62% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 91.05% | 99.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.93% | 90.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.81% | 93.18% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.63% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.54% | 86.33% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.22% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.71% | 97.23% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.67% | 85.94% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 88.65% | 90.65% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.58% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.31% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.24% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.19% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.18% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.77% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.55% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.62% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.45% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.88% | 98.75% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.85% | 98.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.88% | 95.89% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.52% | 87.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.69% | 94.62% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.57% | 96.61% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163069116 |
| LOTUS | LTS0167132 |
| wikiData | Q103816427 |