General
Preferred name
CEPHAELINE
Synonyms
Cephaeline dihydrochloride heptahydrate ()
Cephaeline (dihydrochloride) ()
(-)-Cephaeline (dihydrochloride) ()
NSC 32944 ()
(-)-Cephaeline ()
NSC 32944 (free base) ()
(-)-Cephaeline dihydrochloride ()
Cephaeline hydrochloride ()
CEPHAELINE DIHYDROCHLORIDE ()
P&D ID
PD043693
CAS
483-17-0
6487-30-5
5853-29-2
3738-70-3
Tags
available
drug candidate
Drug indication
Accidental poisoning
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
Cephaeline ((-)-Cephaeline), a desmethyl analog of Emetine, is a phenolic alkaloid in Indian Ipecac roots isolated from the Cephaelis ipecacuanha. Cephaeline exhibits potent inhibition of both Zika virus (ZIKV) and Ebola virus (EBOV) infections. Cephaeline is an inductor of histone H3 acetylation and an inhibitor of mucoepidermoid carcinoma cancer stem cells (MEC), which promotes ferroptosis by inhibiting NRF2 to exert anti-lung cancer efficacy[1][2][3][4].
PRICE
525
DESCRIPTION
Cephaeline was highly active against protected primary CLL cells (relative IC50's 35nM ) and acted by repressing HIF-1???? and disturbing intracellular redox homeostasis.
DESCRIPTION
Cephaeline dihydrochloride is a selective CYP2D6 inhibtor with an IC50 of 121 ¦ÌM.
PRICE
65
DESCRIPTION
Cephaeline was highly active against protected primary CLL cells (relative IC50's 35nM ) and acted by repressing HIF-1α± and disturbing intracellular redox homeostasis.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Cephaeline hydrochloride, a phenolic alkaloid found in Indian Ipecac, effectively inhibits the infection of viruses ZIKV and EBOV.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
DrugMAP
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
55
Molecular Weight
466.28
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
2
cLogP
4.64
TPSA
63.19
Fraction CSP3
0.57
Chiral centers
4.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Filovirus
Influenza Virus
HIF-1α
Cytochrome P450
Ferroptosis
Flavivirus
Keap1-Nrf2
Reactive Oxygen Species (ROS)
P450 (e.g. CYP17)
Nrf2, P450 (e.g. CYP17), Histone Acetyltransferase, Antiviral
Reactive Oxygen Species
Pathway
Angiogenesis
Chromatin/Epigenetic
Microbiology/virology
Metabolic Enzyme/Protease
Anti-infection
Apoptosis
Immunology/Inflammation
NF-κB
NF-¦ÊB
Source data
