General
Preferred name
Oridonin
Synonyms
NSC-250682 ()
Isodonol ()
Pure oridonin ()
Oridonine ()
P&D ID
PD087782
CAS
28957-04-2
Tags
available
covalent binder
natural product
drug candidate
Drug Status
investigational
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
Oridonin (NSC-250682), a diterpenoid isolated from Rabdosia rubescens, acts as an inhibitor of AKT, with IC50s of 8.4 and 8.9 ¦ÌM for AKT1 and AKT2; Oridonin possesses anti-tumor, anti-bacterial and anti-inflammatory effects.
DESCRIPTION
Oridonin is a plant-derived terpenoid. It has been identified as an active ingredient in species including Rabdosia rubescens (Chinese sage) , Isodon rugosus and Isodon ternifolius. Oridonin is proposed to exhibit a wide range of pharmacological properties, including antineoplastic, anti-angiogenic, pro-apoptotic, anti-asthmatic, anti-inflammatory and anti-bacterial actions . . Rabdosia rubescens root extract has been used in traditional Chinese medicine to treat inflammatory diseases and oral cancer.
The dissection of oridonin's specific mechanism of action and identification of its molecular target(s) is ongoing. In respect of inflammation, oridonin binds covalently to NLRP3 and blocks its interaction with NEK7, which ultimately prevents NLRP3 inflammasone assembly and activation . It does not suppress activation of NLRC4 or AIM2 inflammasomes. Oridonin also inhibits AKT serine/threonine kinases in vitro, which may be associated with its anti-tumour activity . (GtoPdb)
The dissection of oridonin's specific mechanism of action and identification of its molecular target(s) is ongoing. In respect of inflammation, oridonin binds covalently to NLRP3 and blocks its interaction with NEK7, which ultimately prevents NLRP3 inflammasone assembly and activation . It does not suppress activation of NLRC4 or AIM2 inflammasomes. Oridonin also inhibits AKT serine/threonine kinases in vitro, which may be associated with its anti-tumour activity . (GtoPdb)
DESCRIPTION
Oridonin, a diterpenoid purified from Rabdosia rubescens, is an antitumor agent. It also acts as an inhibitor of AKT, with IC50s of 8.4 and 8.9 μM for AKT1 and AKT2.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
NLRP3 inflammasome inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
40
Organisms
0
Compound Sets
9
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
CovBinderInPDB
Drug Repurposing Hub
DrugBank
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
364.19
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
0
Ring Count
6
Aromatic Ring Count
0
cLogP
0.38
TPSA
107.22
Fraction CSP3
0.85
Chiral centers
9.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Inflammasomes
MOA
Inhibitor
AKT
BCL inhibitor
Target
BCL2
Akt
Bacterial
Pathway
Anti-infection
PI3K/Akt/mTOR
Source data
