General
Preferred name
squalene
Synonyms
Super Squalene ()
trans-Squalene ()
AddaVax ()
Spinacene, Supraene, trans-Squalene ()
P&D ID
PD049116
CAS
21245-10-3
11051-27-7
7683-64-9
111-02-4
Tags
available
drug
Drug Status
vet_approved
approved
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
Squalene (Super Squalene) is an intermediate product in the synthesis of cholesterol, and shows several pharmacological properties such as hypolipidemic, hepatoprotective, antiatherosclerotic, cardioprotective, antioxidant, and antitumour activity[1][2].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
11
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
410.39
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
15
Ring Count
0
Aromatic Ring Count
0
cLogP
10.6
TPSA
0.0
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
0.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
MOA
Endogenous Metabolite
Target
Fungal
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Source data
