General
Preferred name
CRUSTECDYSONE
Synonyms
20-HYDROXYECDYSONE ()
Ecdysterone ()
20-hydroxy Ecdysone ()
BIO101 ()
20-hydroxy-.alpha.-ecdysone ()
Crustecdyson ()
Polypodin c ()
BIO-101 ()
Ekdisten ()
Polypodine a ()
Polypodine c ()
Ecdysteron ()
Bio 101 ()
Viticosterone ()
Polypodin a ()
NSC-629484 ()
The-7 ()
Isoinokosterone ()
Beta-Ecdysone ()
Ecdysten ()
Commisterone ()
P&D ID
PD018028
CAS
5289-74-7
Tags
available
drug candidate
natural product
Drug Status
investigational
Max Phase
2.0
Drug indication
giardiasis
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 Crustecdysone (20-Hydroxyecdysone) is a naturally occurring ecdysteroid hormone isolated from Serratula coronata which controls the ecdysis (moulting) and metamorphosis of arthropods, it inhibits caspase activity and induces autophagy via the 20E nuclear receptor complex, EcR-USP[1]. Crustecdysone exhibits regulatory or protective roles in the cardiovascular system[2]. Crustecdysone is an active metabolite of Ecdysone (HY-N0179)[3].
DESCRIPTION BIO101 is pharmaceutical grade 20-hydroxyecdysone, the latter being a natural product found in the Asparagus filicinus fern, the trematode Trichobilharzia ocellata, and other organisms. Its activity as a non-peptidic activator of the class A orphan GPCR MAS1 has been proposed to offer potential clinical utility to counteract dysregulation of the renin-angiotensin system (RAS) in patients with COVID-19 respiratory failure . Given the role of ACE2 in the RAS, and the disturbance of ACE2 function that likely ensues when SARS-CoV-2 spike protein binds to ACE2, it is feasible that the RAS will be dysregulated in COVID-19, and that ameliorating this disruption through targeted pharmacological intervention might be of potential clinical benefit. (GtoPdb)
Cell lines
0
Organisms
1
Compound Sets
8
AdooQ Bioactive Compound Library
A13916
Cayman Chemical Bioactives
16145
ChEMBL Drugs
CHEMBL224128
CZ-OPENSCREEN Bioactive Library
DrugBank
DB16935
Guide to Pharmacology
11987
MedChem Express Bioactive Compound Library
HY-N6979
ReFrame library
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
480.31
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
1.85
TPSA
138.45
Fraction CSP3
0.89
Chiral centers
10.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Autophagy
Caspase
Endogenous Metabolite
Pathway
Apoptosis
Metabolic Enzyme/Protease
Source data