cyclo[DL-Glu-DL-Leu-DL-Glu-DL-Leu]

Details

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Internal ID 48455c55-e187-4b0f-8a7f-7dffb317c974
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name 3-[8-(2-carboxyethyl)-5,11-bis(2-methylpropyl)-3,6,9,12-tetraoxo-1,4,7,10-tetrazacyclododec-2-yl]propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H36N4O8/c1-11(2)9-15-21(33)23-14(6-8-18(29)30)20(32)26-16(10-12(3)4)22(34)24-13(19(31)25-15)5-7-17(27)28/h11-16H,5-10H2,1-4H3,(H,23,33)(H,24,34)(H,25,31)(H,26,32)(H,27,28)(H,29,30)
InChI Key BAAXBGJDMMSSOH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H36N4O8
Molecular Weight 484.50 g/mol
Exact Mass 484.25331412 g/mol
Topological Polar Surface Area (TPSA) 191.00 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of cyclo[DL-Glu-DL-Leu-DL-Glu-DL-Leu]

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
CHEMBL2581 P07339 Cathepsin D 97.71% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 96.97% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.44% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.61% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.50% 97.25%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.93% 96.47%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.46% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.45% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.29% 91.11%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 81.68% 92.32%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.65% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 81.50% 94.75%
CHEMBL221 P23219 Cyclooxygenase-1 80.21% 90.17%

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 162836274
LOTUS LTS0166852
wikiData Q103816595