General
Preferred name
CAFFEIC ACID PHENETHYL ESTER
Synonyms
PHENETHYL CAFFEATE (CAPE) ()
Phenylethyl Caffeate ()
CAPE ()
CAPE, Phenylethyl Caffeate ()
Phenethyl Caffeiate ()
P&D ID
PD001360
CAS
104594-70-9
115610-29-2
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Caffeic acid phenethyl ester is a NF-¦ÊB inhibitor.
PRICE
29
DESCRIPTION
Selective inhibitor of P-selectin-mediated cell adhesion
(Tocris Bioactive Compound Library)
DESCRIPTION
NFkB inhibitor
(LOPAC library)
DESCRIPTION
Specific inhibitor of NF-κB activation
(Tocriscreen Total)
DESCRIPTION
Caffeic Acid Phenethyl Ester (Phenylethyl Caffeate) (CAPE) inhibits the activation of nuclear transcription factor NF-kappa B and may suppress p70S6K and Akt-driven signaling pathways, with antineoplastic, cytoprotective and immunomodulating activities. CAPE is the phenethyl alcohol ester of caffeic acid and a bioactive component of honeybee hive propolis. In addition, CAPE inhibits PDGF-induced proliferation of vascular smooth muscle cells through the activation of p38 mitogen-activated protein kinase (MAPK) and hypoxia-inducible factor (HIF)-1alpha and subsequent induction of heme oxygenase-1 (HO-1).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
32
Organisms
3
Compound Sets
15
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
284.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
2.9
TPSA
66.76
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.5
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Selectivity
NFkB
Target
Apoptosis
NF-κB
RELA
NF-¦ÊB
Primary Target
NF-?B and I?B
MOA
Inhibitor
HIV integrase inhibitor
Source data
