N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-formamido-3-methylbutanamide
Internal ID | 8897a343-cc56-4830-b146-3151134b9ca9 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
IUPAC Name | N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-formamido-3-methylbutanamide |
SMILES (Canonical) | CC(C)C(C(=O)NC(C(C)C)C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC=O |
SMILES (Isomeric) | CC(C)C(C(=O)NC(C(C)C)C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C\C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC=O |
InChI | InChI=1S/C34H43N5O7/c1-20(2)28(36-19-40)32(42)38-29(21(3)4)34(44)39-16-14-27-30(39)33(43)37-25(17-22-9-7-6-8-10-22)31(41)35-15-13-23-18-24(46-27)11-12-26(23)45-5/h6-13,15,18-21,25,27-30H,14,16-17H2,1-5H3,(H,35,41)(H,36,40)(H,37,43)(H,38,42)/b15-13- |
InChI Key | IQWBDDWQXYWYTP-SQFISAMPSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H43N5O7 |
Molecular Weight | 633.70 g/mol |
Exact Mass | 633.31624873 g/mol |
Topological Polar Surface Area (TPSA) | 155.00 Ų |
XlogP | 3.80 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.71% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 99.07% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.48% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.13% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.91% | 95.56% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.84% | 97.14% |
CHEMBL4072 | P07858 | Cathepsin B | 93.14% | 93.67% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.12% | 91.11% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.28% | 95.89% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.65% | 95.89% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.32% | 89.50% |
CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.24% | 97.64% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.05% | 99.17% |
CHEMBL2535 | P11166 | Glucose transporter | 89.43% | 98.75% |
CHEMBL204 | P00734 | Thrombin | 89.39% | 96.01% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.77% | 93.00% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.98% | 94.66% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.83% | 98.33% |
CHEMBL3837 | P07711 | Cathepsin L | 84.65% | 96.61% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.12% | 90.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.85% | 93.03% |
CHEMBL5028 | O14672 | ADAM10 | 83.78% | 97.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.59% | 92.62% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.37% | 97.25% |
CHEMBL3202 | P48147 | Prolyl endopeptidase | 80.62% | 90.65% |
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.
Ziziphus jujuba |
PubChem | 102156891 |
LOTUS | LTS0176469 |
wikiData | Q105118643 |