General
Preferred name
DAPHNETIN
Synonyms
7,8-Dihydroxycoumarin ()
Daphnetol ()
NSC-633563 ()
P&D ID
PD001265
CAS
486-35-1
Tags
available
drug candidate
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Daphnetin (7,8-dihydroxycoumarin), one coumarin derivative can be found in plants of the Genus Daphne, is a potent, oral active protein kinase inhibitor, with IC50s of 7.67 ¦ÌM, 9.33 ¦ÌM and 25.01 ¦ÌM for EGFR, PKA and PKC in vitro, respectively. Daphnetin triggers ROS-induced cell apoptosis and induces cytoprotective autophagy by modulating the AMPK/Akt/mTOR pathway. Daphnetin has anti-inflammation activitity and inhibits TNF-¦Á, IL-1¦Â, ROS, and MDA production. Daphnetin has schizontocidal activity against malaria parasites. Daphnetin can be used for rheumatoid arthritis , cancer and anti-malarian research[1][2][3][4].
PRICE 29
DESCRIPTION Daphnetin (7,8-Dihydroxycoumarin), a natural coumarin derivative, is a protein kinase inhibitor with inhibitory for EGFR (IC50: 7.67 ??M), PKA (IC50: 9.33 ??M), and PKC (IC50: 25.01 ??M), also exhibit anti-oxidant and anti-inflammatory activities.
DESCRIPTION Protein kinase (PK) inhibitor (LOPAC library)
DESCRIPTION Daphnetin (7,8-Dihydroxycoumarin), a natural coumarin derivative, is a protein kinase inhibitor with inhibitory for EGFR (IC50: 7.67 μM), PKA (IC50: 9.33 μM), and PKC (IC50: 25.01 μM), also exhibit anti-oxidant and anti-inflammatory activities. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
2
Compound Sets
9
AdooQ Bioactive Compound Library
A10286
Cayman Chemical Bioactives
20826
ChEMBL Drugs
CHEMBL244948
Drug Repurposing Hub
DrugBank
DB18965
LOPAC library
MedChem Express Bioactive Compound Library
HY-N0281
Selleckchem Bioactive Compound Library
Daphnetin
TargetMol Bioactive Compound Library
T2851
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
178.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
1.2
TPSA
70.67
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
PK
MOA
protein kinase inhibitor
Pathway
Angiogenesis
Autophagy
Chromatin/Epigenetic
Cytoskeletal Signaling
JAK/STAT Signaling
Microbiology/virology
Tyrosine Kinase/Adaptors
Anti-infection
Cell Cycle/DNA Damage
Epigenetics
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
PI3K/Akt/mTOR
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
TGF-beta/Smad
NF-¦ÊB
Target
Akt
AMPK
Apoptosis
Bcl-2 Family
Caspase
EGFR
MTOR
Parasite
PARP
PKA
PKC
Reactive Oxygen Species (ROS)
EGFR,PKA,PKC
Reactive Oxygen Species
Source data