Cyclo-[phenylalanyl-prolyl-leucyl-prolyl]

Details

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Internal ID ae986d53-e7f5-4d31-9ff7-d7fc9cea6214
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides
IUPAC Name (3S,6S,12S,15S)-3-benzyl-12-(2-methylpropyl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
SMILES (Canonical) CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)N1)CC4=CC=CC=C4
SMILES (Isomeric) CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=CC=C4
InChI InChI=1S/C25H34N4O4/c1-16(2)14-18-24(32)28-12-6-11-21(28)23(31)27-19(15-17-8-4-3-5-9-17)25(33)29-13-7-10-20(29)22(30)26-18/h3-5,8-9,16,18-21H,6-7,10-15H2,1-2H3,(H,26,30)(H,27,31)/t18-,19-,20-,21-/m0/s1
InChI Key DGVAQUZMNFTFKE-TUFLPTIASA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H34N4O4
Molecular Weight 454.60 g/mol
Exact Mass 454.25800558 g/mol
Topological Polar Surface Area (TPSA) 98.80 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cyclo-[phenylalanyl-prolyl-leucyl-prolyl]

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 99.81% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.78% 96.09%
CHEMBL3524 P56524 Histone deacetylase 4 96.35% 92.97%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 95.02% 97.64%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.56% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.57% 85.14%
CHEMBL333 P08253 Matrix metalloproteinase-2 89.78% 96.31%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.04% 95.89%
CHEMBL5103 Q969S8 Histone deacetylase 10 89.01% 90.08%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 88.85% 82.38%
CHEMBL1902 P62942 FK506-binding protein 1A 87.90% 97.05%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.51% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.15% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.12% 94.45%
CHEMBL3202 P48147 Prolyl endopeptidase 85.35% 90.65%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 85.34% 93.00%
CHEMBL221 P23219 Cyclooxygenase-1 85.33% 90.17%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.68% 93.03%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.55% 97.14%
CHEMBL1978 P11511 Cytochrome P450 19A1 81.80% 91.76%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.13% 86.33%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.02% 90.93%

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 24851291
LOTUS LTS0072181
wikiData Q77381110