Cryptophycin D
| Internal ID | 815ba70a-f6fc-43aa-8d71-ba748f7a75fc |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (3S,6R,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H44N2O7/c1-23(2)20-31-35(41)43-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(21-27-16-18-28(42-5)19-17-27)33(39)36-22-25(4)34(40)44-31/h6-11,13-19,23-25,29-31H,12,20-22H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1 |
| InChI Key | IEYSWBYGDJSUEZ-FBLQQVRNSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C35H44N2O7 |
| Molecular Weight | 604.70 g/mol |
| Exact Mass | 604.31485175 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 6.40 |
| Cryptophycin 4 |
| CHEMBL267072 |
| DTXSID101335279 |
| 155645-51-5 |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.97% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.81% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 93.16% | 89.67% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 92.98% | 89.44% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 92.43% | 92.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.51% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.42% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.94% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.34% | 85.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.88% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.70% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.86% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.45% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 99.17% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 84.35% | 97.78% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 83.64% | 96.31% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.56% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.29% | 93.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.56% | 92.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.45% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.36% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.63% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.49% | 91.07% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.12% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.03% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 10371453 |
| LOTUS | LTS0213589 |
| wikiData | Q77371275 |