General
Preferred name
MAVACOXIB
Synonyms
Trocoxil ()
PHA-739521 ()
PHA 739,521 ()
P&D ID
PD126159
CAS
170569-88-7
Tags
available
drug candidate
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
5
ChEMBL Drugs
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
385.05
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.34
TPSA
77.98
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Immunology/Inflammation
Target
COX-2
COX
Source data
