General
Preferred name
masoprocol
Synonyms
Nordihydroguaiaretic acid from Larrea divaricata (creosote bush) ()
Masoprocol ()
Actinex ()
meso-Nordihydroguaiaretic acid ()
meso-NDGA ()
CHX-100 ()
Nordihydroguaiaretic acid ()
INSM-18 ()
NSC-4291 ()
NSC-682984 ()
Masoprocol ()
P&D ID
PD002663
CAS
1050512-02-1
27686-84-6
Tags
natural product
drug
available
Approved by
FDA
First approval
1992
Drug Status
investigational
approved
withdrawn
Drug indication
Prostate cancer
Max Phase
Phase 4
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
Lipoxygenase inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
15
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
LOPAC library
MedChem Express Bioactive Compound Library
Natural product-based probes and drugs
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
ReFrame library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Molecular Weight
302.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
3.57
TPSA
80.92
Fraction CSP3
0.33
Chiral centers
2.0
Largest ring
6.0
QED
0.64
Structural alerts
1
Nonspecific reactivity
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Lipoxygenase
Member status
virtual
MOA
ER stress inducer
IGF-1R Phosphorylation Inhibitors
Lipoxygenase Inhibitors
ATC
L01XX10
Biosynthetic Origin
Other (Shikimate)
Therapeutic Indication
Anticancer
Therapeutic Class
Anticancer Agents
Pathway
Metabolic Enzyme/Protease
Source data
