Paecilopeptin

Details

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Internal ID 071d6d84-110b-47ae-9e72-30894a451158
Taxonomy Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids
IUPAC Name (2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]pentanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H24N2O3/c1-8(2)6-11(14-10(5)17)13(18)15-12(7-16)9(3)4/h7-9,11-12H,6H2,1-5H3,(H,14,17)(H,15,18)/t11-,12+/m0/s1
InChI Key FCSVBIFJBYWEQD-NWDGAFQWSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H24N2O3
Molecular Weight 256.34 g/mol
Exact Mass 256.17869263 g/mol
Topological Polar Surface Area (TPSA) 75.30 Ų
XlogP 0.80

Synonyms

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CHEBI:66717
Q27135340

2D Structure

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2D Structure of Paecilopeptin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL3837 P07711 Cathepsin L 99.16% 96.61%
CHEMBL2581 P07339 Cathepsin D 96.82% 98.95%
CHEMBL4072 P07858 Cathepsin B 93.75% 93.67%
CHEMBL3359 P21462 Formyl peptide receptor 1 93.05% 93.56%
CHEMBL1801 P00747 Plasminogen 92.84% 92.44%
CHEMBL4801 P29466 Caspase-1 92.22% 96.85%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.74% 96.09%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 87.91% 83.10%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.87% 100.00%
CHEMBL268 P43235 Cathepsin K 85.51% 96.85%
CHEMBL3308 P55212 Caspase-6 85.25% 97.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.68% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 84.58% 90.17%
CHEMBL2413 P32246 C-C chemokine receptor type 1 84.06% 89.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.41% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.60% 94.33%
CHEMBL2094135 Q96BI3 Gamma-secretase 82.08% 98.05%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.16% 91.11%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 80.52% 98.33%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 80.08% 95.71%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10038050
LOTUS LTS0083362
wikiData Q27135340