Phepropeptin B
| Internal ID | ab3774cf-fd27-4abb-a964-95bd3206b7df |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3R,6S,9S,12R,15S,18S)-3,15-dibenzyl-6,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56N6O6/c1-24(2)20-29-35(47)44-32(23-28-16-11-8-12-17-28)40(52)46-19-13-18-33(46)38(50)42-31(22-27-14-9-7-10-15-27)36(48)41-30(21-25(3)4)37(49)45-34(26(5)6)39(51)43-29/h7-12,14-17,24-26,29-34H,13,18-23H2,1-6H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t29-,30+,31-,32+,33-,34-/m0/s1 |
| InChI Key | WPYOCTODIOSRQG-WOXDTIJASA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C40H56N6O6 |
| Molecular Weight | 716.90 g/mol |
| Exact Mass | 716.42613353 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 5.60 |
| 396729-24-1 |
| (3R,6S,9S,12R,15S,18S)-3,15-dibenzyl-6,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo(16.3.0)henicosane-2,5,8,11,14,17-hexone |
| (3R,6S,9S,12R,15S,18S)-3,15-dibenzyl-6,12-bis(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone |
| RefChem:173144 |
| cyclo(-L-Leu-D-Phe-L-Pro-L-Phe-D-Leu-L-Val-) |
| orb2814523 |
| CHEMBL4447109 |
| CHEBI:214806 |
| HY-N14928 |
| T203201 |
| 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 | 99.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.55% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.68% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.21% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.78% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.56% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 90.73% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.72% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.08% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.63% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.27% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.76% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.78% | 93.00% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.45% | 91.76% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.56% | 99.18% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.44% | 90.93% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.38% | 93.03% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 83.23% | 90.65% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.21% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.80% | 86.33% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.01% | 95.51% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10865444 |
| LOTUS | LTS0209703 |
| wikiData | Q77497395 |