Cryptophycin-21
| Internal ID | d6a8c7a6-c5be-4ab4-b4aa-3c87934b2b52 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1R)-1-[(2R,3S)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H41ClN2O8/c1-20(2)17-28-34(41)44-26(21(3)31-32(45-31)23-9-6-5-7-10-23)11-8-12-29(38)37-25(33(40)36-16-15-30(39)43-28)19-22-13-14-27(42-4)24(35)18-22/h5-10,12-14,18,20-21,25-26,28,31-32H,11,15-17,19H2,1-4H3,(H,36,40)(H,37,38)/b12-8+/t21-,25-,26+,28+,31-,32+/m1/s1 |
| InChI Key | ATKRDMWWPRZLSY-MCTRNWQUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C34H41ClN2O8 |
| Molecular Weight | 641.10 g/mol |
| Exact Mass | 640.2551440 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 5.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.48% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.20% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.11% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 96.26% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.57% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.45% | 96.61% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.44% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.25% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.15% | 92.62% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 90.88% | 97.78% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.62% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.48% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.28% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.89% | 97.14% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.54% | 89.44% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.30% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.48% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.25% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.36% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.34% | 100.00% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.54% | 99.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.28% | 98.59% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 80.05% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.01% | 90.20% |
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 | 15280748 |
| LOTUS | LTS0213262 |
| wikiData | Q105100123 |