General
Preferred name
Glucoraphanin
Synonyms
Glucoraphanin (potassium salt) ()
P&D ID
PD047714
CAS
1432982-77-8
21414-41-5
Tags
available
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
437.05
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.8
TPSA
189.17
Fraction CSP3
0.92
Chiral centers
6.0
Largest ring
6.0
QED
0.07
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Endogenous Metabolite
Reactive Oxygen Species
Source data
