General
Preferred name
TILMACOXIB
Synonyms
JTE-522 ()
JTE522 ()
JTP19605 ()
RWJ57504 ()
RWJ-57504 ()
JTP-19605 ()
P&D ID
PD069257
CAS
180200-68-4
Tags
available
drug candidate
Drug indication
Colon polyp
Drug Status
investigational
Max Phase
2.0
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
338.11
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
3.48
TPSA
86.19
Fraction CSP3
0.44
Chiral centers
0.0
Largest ring
6.0
QED
0.93
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
COX
Source data
