General
Preferred name
LICOFELONE
Synonyms
ML-3000 ()
Licofelone (ML3000) ()
ML3000 ()
Ml 3000 ()
P&D ID
PD008717
CAS
156897-06-2
Tags
available
drug candidate
Drug indication
Osteoarthritis
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 ]]
Cell lines
4
Organisms
0
Compound Sets
11
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
379.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
5.68
TPSA
42.23
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
COX
Lipoxygenase
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
5-LOX
ALOX5, PLA2G2E, PTGS2
MOA
cyclooxygenase inhibitor, lipoxygenase inhibitor
Source data
