Cyclooxygenase inhibitors [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,


NAME CAS FORMULA MWTerraQSAR - LOGP
6-methoxy-2-naphthylacetic acid 23981-47-7 C12H10O3 202.21
3.19
valeryl salicylate 64206-54-8 C12H14O4 222.24
1.19
niflumic acid 4394-00-7 C13H9F3N2O2 282.22
5.23
ebselen 60940-34-3 C13H9NOSe 274.18
1.63
nimesulide 51803-78-2 C13H12N2O5S 308.31
2.54
NS-398 123653-11-2 C13H18N2O5S 314.36
1.64
ibuprofen (+/-) 15687-27-1 C13H18O2 206.28
3.97
tenidap; CAS also 120210-48-2 100599-27-7 C14H9ClN2O3S 320.75
2.56
diclofenac-sodium 15307-79-6 C14H10Cl2NNaO2 318.13
0.70
meclofenamate-sodium salt 6385-02-0 C14H10Cl2NNaO2 318.13
3.41
diclofenac [acid] 15307-86-5 C14H11Cl2NO2 296.15
3.41
tolfenamic acid 13710-19-5 C14H12ClNO2 261.71
4.36
resveratroll 501-36-0 C14H12O3 228.25
2.33
piceatannol 4339-71-3 C14H12O4 244.25
2.33
meloxicam 71125-38-7 C14H13N3O4S2 351.40
2.62
isoxicam 34552-84-6 C14H13N3O5S 335.34
1.02
naproxen; Naprosyn 22204-53-1 C14H14O3 230.26
3.18
lumiracoxib; COX-189; Prexige 220991-20-8 C15H13ClFNO2 293.72
3.04
flurbiprofen () 51543-38-5 C15H13FO2 244.26
3.90
piroxicam 36322-90-4 C15H13N3O4S 331.35
3.06
zomepirac; CAS also 64092-48-4 33369-31-2 C15H14ClNO3 291.73
1.81
fenspiride 5053-06-5 C15H20N2O2 260.34
2.60
mavacocib 170569-88-7 C16H11F4N3O2S 385.34
6.18
cimicoxib 265114-23-6 C16H13ClFN3O3S 381.81
1.27
flosulide 80937-31-1 C16H13F2NO4S 353.34
2.01
robenacoxib 220991-32-2 C16H13F4NO2 327.28
2.66
valdecoxib; Bextra 181695-72-7 C16H14N2O3S 314.36
0.96
tilmacoxib 180200-68-4 C16H19FN2O3S 338.40
1.66
DuP-697 88149-94-4 C17H12BrFO2S2 411.32
0.51
enolicam 59755-82-7 C17H12Cl3NO4S 432.71
2.58
SC-58125 162054-19-5 C17H12F4N2O2S 384.35
0.76
celecoxib; celebrex 169590-42-5 C17H14F3N3O2S 381.38
1.19
deracoxib 169590-41-4 C17H14F3N3O3S 397.37
1.32
oxindanac 68548-99-2 C17H14O4 282.29
3.14
MK-0966 186912-82-3 C17H14O4S 314.36
0.57
rofecoxib 162011-90-7 C17H14O4S 314.36
0.57
indoprofen 31842-01-0 C17H15NO3 281.31
2.90
trismethoxy resveratrol 22255-22-7 C17H18O3 270.33
-0.27
firocoxib; Previcox 189954-96-9 C17H20O5S 336.41
2.25
etoricoxib 202409-33-4 C18H15ClN2O2S 358.85
1.23
(E)-3,3',4,5'-tetramethoxystilbene 83088-26-0 C18H20O4 300.35
-0.30
indomethacin; indometacin 53-86-1 C19H16ClNO4 357.79
4.27
parecoxib 198470-84-7 C19H18N2O4S 370.43
0.97
phenylbutazone; Butazolidin 50-33-9 C19H20N2O2 308.38
3.16
apricoxib 197904-84-0 C19H20N2O3S 356.44
1.93
sulindac sulfide 32004-67-4 C20H17FO2S 340.42
2.19
sulindac sulfone 59864-04-9 C20H17FO4S 372.41
0.55
5,8,11,14-eicosatetraynoic acid 1191-85-1 C20H24O2 296.41
2.15
8,11-eicosadiynoic acid 82073-91-4 C20H32O2 304.47
6.08
curcumin 458-37-7 C21H20O6 368.38
2.30
melitracene; melitracen 5118-29-6 C21H25N 291.44
3.65
harpagoside 19210-12-9 C24H30O11 494.49
0.96
pamicogrel 101001-34-7 C25H24N2O4S 448.54
3.76


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