General
Preferred name
APRICOXIB
Synonyms
CS-706 ()
CS 706 ()
R 109339 ()
TG 01 ()
R-109339 ()
TG01 ()
TG-01 ()
P&D ID
PD058100
CAS
197904-84-0
Tags
available
drug candidate
Drug indication
Rheumatoid arthritis
Non-small-cell lung cancer
pancreatic carcinoma
Pancreatic cancer
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Apricoxib is an orally bioavailable nonsteroidal anti-inflammatory agent (NSAID) with potential antiangiogenic and antineoplastic activities. Apricoxib binds to and inhibits the enzyme cyclooxygenase-2 (COX-2), thereby inhibiting the conversion of arachidonic acid into prostaglandins. Apricoxib-mediated inhibition of COX-2 may induce tumor cell apoptosis and inhibit tumor cell proliferation and tumor angiogenesis. (BOC Sciences Bioactive Compounds)
Compound Sets
6
BOC Sciences Bioactive Compounds
apricoxib-cas-197904-84-0-item-84-458802
ChEMBL Drugs
CHEMBL1835207
DrugBank
DB12378
DrugMAP
DMR3Q82
MedChem Express Bioactive Compound Library
HY-14783
ReFrame library
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
356.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
3.5
TPSA
74.32
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Immunology/Inflammation
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Target
COX
Prostaglandin Receptor
Source data