General
Preferred name
SULFORAPHANE
Synonyms
(-)-sulforaphane ()
4-(Methylsulfinyl)Butyl Isothiocyanate ()
(R)-Sulforaphane ()
Sulforaphane, (r)- ()
P&D ID
PD019298
CAS
4478-93-7
Tags
covalent binder
drug candidate
natural product
available
Drug indication
Skin disease
Solid tumour/cancer
Drug Status
investigational
Max Phase
Phase 3
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
Found in cruciferous vegetables such as brocolli. It has potential chemopreventive , anti-cancer and neuroprotective actions . It may act as a quinone reductase inducer .
(GtoPdb)
DESCRIPTION
Sulforaphaneis a naturally-occurring phytochemical belonging to the class of isothiocyanates. As the aglycone metabolite of glucosinolate glucoraphanin (sulforaphane glucosinolate), sulforaphane acts as an antioxidant and potent stimulator of endogenous detoxifying enzymes. This agent displays anticarcinogenic properties due to its ability to induce phase II detoxification enzymes, such as glutathione S-transferase and quinone reductase, thereby providing protection against certain carcinogens and toxic, reactive oxygen species. Broccoli sprouts contain large amounts of sulforaphane, which is also found in other cruciferous vegetables including cabbage and kale.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
18
Organisms
1
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
CovalentInDB
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
177.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
1.25
TPSA
29.43
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
0.0
QED
0.36
Structural alerts
1
Other
Nrf2 activator
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Apoptosis
Cell Cycle/DNA Damage
Epigenetics
NF-κB
Target
HDAC
Keap1-Nrf2
HDAC,Heme Oxygenase,NF-¦ÊB,Nrf2,ROS
Solubility
Soluble in Chloroform (Sparingly), Methanol (Slightly)
Source data
