General
Preferred name
HE3286
Synonyms
Bezisterim ()
HE 3286 ()
NE-3107 ()
Ne3107 ()
NE 3107 ()
Triolex ()
HE-3286 ()
P&D ID
PD059187
CAS
1001100-69-1
Tags
available
drug candidate
Drug indication
Type-2 diabetes
Rheumatoid arthritis
Drug Status
investigational
Max Phase
3.0
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
Bezisterim (HE 3286; NE-3107) is a synthetic derivative of a natural anti-inflammatory steroid, ¦Â-AET. Bezisterim is an orally active partial NF-¦ÊB inhibitor. HE3286 reduces proinflammatory signals, including IL-6 and matrix metallopeptidase 3. Bezisterim freely penetrates the blood brain barrier in mice. Bezisterim can be used for the research of the ulcerative colitis, arthritis, experimental autoimmune encephalomyelitis[1][2][3]. Bezisterim is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
ChEMBL Drugs
DrugBank
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Molecular Weight
330.22
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
2.65
TPSA
60.69
Fraction CSP3
0.81
Chiral centers
8.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-κB
NF-¦ÊB
Source data
