Anti-inflammatory compounds [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,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
pamidronate; pamidronic acid 40391-99-9 C3H11NO7P2 235.07
-3.48
dextiopronin 29335-92-0 C5H9NO3S 163.19
-0.58
tiopronin 1953-02-2 C5H9NO3S 163.19
-0.58
atrinositol 28841-62-5 C6H15O15P3 420.09
3.73
fenamole 5467-78-7 C7H7N5 161.17
-0.36
fosfosal 6064-83-1 C7H7O6P 218.10
2.07
oxaceprol 33996-33-7 C7H11NO4 173.17
-0.99
bucillamine 65002-17-7 C7H13NO3S2 223.31
-0.23
enprofylline 41078-02-8 C8H10N4O2 194.19
-0.75
thiamiprine; tiamiprine 5581-52-2 C9H8N8O2S 292.28
0.10
aspirin; acetylsalicylic acid 50-78-2 C9H8O4 180.16
1.19
mizoribine 50924-49-7 C9H13N3O6 259.22
-1.12
tetridamine 17289-49-5 C9H15N3 165.24
2.66
seclazone 29050-11-1 C10H8ClNO3 225.63
1.01
lofemizole hydrochloride 65571-68-8 C10H10Cl2N2 229.11
0.65
cloracetadol 15687-05-5 C10H10Cl3NO3 298.55
1.65
icoduline 138511-81-6 C10H10N2OS 206.27
1.59
imidazole salicylate 36364-49-5 C10H10N2O3 206.20
-0.87
tenosiprol 129336-81-8 C10H11NO4S 241.26
2.08
pentosan polysulfate 37300-21-3 C10H18O21S4 602.49
-0.55
fenclozic acid 17969-20-9 C11H8ClNO2S 253.71
2.10
tianafac 51527-19-6 C11H9ClO2S 240.71
2.44
pirquinozol 65950-99-4 C11H9N3O2 215.21
1.63
meseclazone 29053-27-8 C11H10ClNO3 239.66
1.10
alclofenac 22131-79-9 C11H11ClO3 226.66
2.27
nestifylline 116763-36-1 C11H14N4O2S2 298.39
3.08
emorfazone 38957-41-4 C11H17N3O3 239.27
0.75
tenosal 95232-68-1 C12H8O4S 248.26
2.78
eltenac 72895-88-6 C12H9Cl2NO2S 302.18
2.29
lotifazole 71119-10-3 C12H9Cl3N2O2S 351.64
2.46
pirfenidone 53179-13-8 C12H11NO 185.23
1.68
zoliprofen 56355-17-0 C12H11NO3S 249.29
2.54
sampirtine 115911-28-9 C12H12FN3 217.25
1.84
salnacedin 87573-01-1 C12H13N1O5S 283.30
1.67
ruvazone 20228-27-7 C12H14N2O4 250.25
0.43
furofenac 56983-13-2 C12H14O3 206.24
2.91
choline salicylate 2016-36-6 C12H19NO4 241.29
-1.24
diflunisal 22494-42-4 C13H8F2O3 250.20
2.93
niflumic acid 4394-00-7 C13H9F3N2O2 282.22
5.23
lornoxicam 70374-39-9 C13H10ClN3O4S2 371.82
3.06
orpanoxin 60653-25-0 C13H11ClO4 266.68
3.77
tenoxicam 59804-37-4 C13H11N3O2S2 305.38
1.56
sudoxicam 34042-85-8 C13H11N3O4S2 337.38
2.52
nimesulide 51803-78-2 C13H12N2O5S 308.31
2.54
atliprofen [both enantiomers] 108912-17-0 C13H12O2S 232.30
2.76
piprofen 31793-07-4 C13H14ClNO2 251.71
2.29
mofebutazone 2210-63-1 C13H16N2O2 232.28
2.77
diaveridine 5355-16-8 C13H16N4O2 260.30
0.91
dexibuprofen (D); (S)-ibuprofen 51146-56-6 C13H18O2 206.28
3.97
ibuprofen (-) (S), see also CAS 15687-27-1 58560-75-1 C13H18O2 206.28
3.97
ibuprofen (+/-) 15687-27-1 C13H18O2 206.28
3.97
lisofylline 100324-81-0 C13H20N4O3 280.33
-0.11
ilonidap 135202-79-8 C14H7ClFN2NaO3S 360.73
2.53
tenidap; CAS also 120210-48-2 100599-27-7 C14H9ClN2O3S 320.75
2.56
tenidap; CP 66,248; CAS also 100599-27-7 120210-48-2 C14H9ClN2O3S 320.75
2.69
fluretofen 56917-29-4 C14H9F 196.22
4.60
lobenzarit 63329-53-3 C14H10ClNO4 291.69
2.51
diclofenac-sodium; benzeneacetic acid, 2[(2,6-dichlorophenyl)amino]-, monosodium 15307-79-6 C14H10Cl2NNaO2 318.13
0.70
fenclofenac 34645-84-6 C14H10Cl2O3 297.14
4.58
flufenamic acid 530-78-9 C14H10F3NO2 281.23
5.25
cliprofen 51022-75-4 C14H11ClO3S 294.76
2.33
diclofenac [acid] 15307-86-5 C14H11Cl2NO2 296.15
3.41
meclofenamate; meclofenamic acid; Meclodol 644-62-2 C14H11Cl2NO2 296.15
4.36
diflumidone 22736-85-2 C14H11F2NO3S 311.31
2.04
flunixin 38677-85-9 C14H11F3N2O2 296.25
5.22
felbinac; 4-biphenylacetic acid 5728-52-9 C14H12O2 212.25
3.02
tiaprofenic acid 33005-95-7 C14H12O3S 260.31
2.27
meloxicam 71125-38-7 C14H13N3O4S2 351.40
2.62
isoxicam 34552-84-6 C14H13N3O5S 335.34
1.02
naproxen-sodium 26159-34-2 C14H13NaO3 252.24
3.74
isonixin 57021-61-1 C14H14N2O2 242.28
1.05
clofurac 60986-89-2 C14H15ClO2 250.72
2.13
azulol 87-50-3 C14H16 184.28
4.14
fenclorac 36616-52-1 C14H16Cl2O2 287.19
3.10
parsalmide 30653-83-9 C14H18N2O2 246.31
0.77
cloximate 58832-68-1 C14H19ClN2O3 298.77
2.53
oxolamine 959-14-8 C14H19N3O 245.33
1.91
ramifenazone 3615-24-5 C14H19N3O 245.33
0.99
butibufen 55837-18-8 C14H20O2 220.31
3.94
reparixin 266359-83-5 C14H21NO3S 283.39
0.38
bucolome 841-73-6 C14H22N2O3 266.34
2.27
amiprilose 56824-20-5 C14H27NO6 305.37
1.00
furcloprofen 58012-63-8 C15H11ClO3 274.70
4.99
carprofen 53716-49-7 C15H12ClNO2 273.72
1.90
chrysarobin; 1,8,9-trihydroxy-3-methylanthracene 491-59-8 C15H12O3 240.26
3.00
butein; 3,4,2',4'-tetrahydroxychalcone 21849-70-7 C15H12O5 272.26
2.08
flurbiprofen 5104-49-4 C15H13FO2 244.26
3.90
metiazinic acid 13993-65-2 C15H13NO2S 271.34
4.75
keterolac; ketorolac (DL); see also CAS 66635-92-5 for (S)-keterolac, and CAS 66635-93-6 for (R-keterolac 74103-06-3 C15H13NO3 255.27
1.88
piroxicam; 2H-1,2-benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-, 1,1-dioxide 36322-90-4 C15H13N3O4S 331.35
3.06
zomepirac; CAS also 64092-48-4 33369-31-2 C15H14ClNO3 291.73
1.81
acreozast 123548-56-1 C15H14ClN3O6 367.74
3.56
nepafenac 78281-72-8 C15H14N2O2 254.29
2.31
fenoprofen 31879-05-7 C15H14O3 242.27
4.26
enfenamic acid 23049-93-6 C15H15NO2 241.29
4.25
mefenamic acid 61-68-7 C15H15NO2 241.29
4.36
tolmetin sodium 64490-92-2 C15H15NO3 257.29
1.83
romazarit 109543-76-2 C15H16ClNO4 309.75
3.23
zomebazam 78466-70-3 C15H16N4O2 284.32
2.18
loxoprofen sodium [dihydrate] 80382-23-6 C15H17NaO3 268.29
3.95
broperamole 33144-79-5 C15H18BrN5O 364.25
1.69
tiaramide 32527-55-2 C15H18ClN3O3S 355.84
2.96
isoprazone 56463-68-4 C15H18N2O 242.32
1.67
loxoprofen 68767-14-6 C15H18O3 246.31
3.54
FPL-58302 58282-60-3 C15H18O4 262.30
3.20
ximoprofen 56187-89-4 C15H19NO3 261.32
2.54
esculamine 2908-75-0 C15H19NO6 309.32
0.97
isoprofen 57144-56-6 C15H20O2 232.32
3.91
S-adenosyl-methionine [zwitter ion] 29908-03-0 C15H22N6O5S 398.44
1.22
cinchophen 132-60-5 C16H11NO2 249.27
2.82
droxicam 90101-16-9 C16H11N3O5S 357.34
3.05
benoxaprofen 51234-28-7 C16H12ClNO3 301.73
3.24
flunoxaprofen 66934-18-7 C16H12FNO3 285.27
3.23
furobufen 38873-55-1 C16H12O4 268.27
4.22
isoxepac 55453-87-7 C16H12O4 268.27
3.12
oxepinac 55689-65-1 C16H12O4 268.27
3.12
aceclofenac 89796-99-6 C16H13Cl2NO4 354.19
3.14
flosulide 80937-31-1 C16H13F2NO4S 353.34
2.01
miroprofen 55843-86-2 C16H14N2O2 266.30
2.52
bendazac 20187-55-7 C16H14N2O3 282.30
2.20
valdecoxib; Bextra 181695-72-7 C16H14N2O3S 314.36
0.96
amlexanox 68302-57-8 C16H14N2O4 298.30
2.35
cicloprofen 36950-96-6 C16H14O2 238.29
3.76
ketoprofen 22071-15-4 C16H14O3 254.28
3.12
guacetisal 55482-89-8 C16H14O5 286.28
3.32
guaimesal 81674-79-5 C16H14O5 286.28
2.79
anirolac 66635-85-6 C16H15NO4 285.30
1.84
nicotredole 29876-14-0 C16H15N3O 265.32
3.18
pelubiprofen [both enantiomers] 69956-77-0 C16H18O3 258.32
3.10
clidanac 34148-01-1 C16H19ClO2 278.78
3.62
bucloxic acid 32808-51-8 C16H19ClO3 294.78
3.34
lefetamine 7262-75-1 C16H19N 225.33
3.69
prodolic acid 36505-82-5 C16H19NO3 273.33
2.06
acexamic acid 57-08-9 C16H26CaN2O6 382.47
2.23
tiflamizole 62894-89-7 C17H10F6N2O2S 420.33
2.51
pirazolac 71002-09-0 C17H12ClFN2O2 330.75
3.58
intrazole 15992-13-9 C17H12ClN5O 337.77
3.10
enolicam 59755-82-7 C17H12Cl3NO4S 432.71
2.58
talosalate 66898-60-0 C17H12O6 312.28
4.14
triflumidate 24243-89-8 C17H14F3NO5S 401.36
2.12
furaprofen 67700-30-5 C17H14O3 266.30
4.38
zaltoprofen 89482-00-8 C17H14O3S 298.36
4.13
oxindanac 68548-99-2 C17H14O4 282.29
3.14
indoprofen 31842-01-0 C17H15NO3 281.31
2.90
benorilate 5003-48-5 C17H15NO5 313.31
3.36
nictindole 36504-64-0 C17H16N2O 264.33
2.83
metbufen 63472-04-8 C17H16O3 268.31
3.32
terofenamate 29098-15-5 C17H17Cl2NO3 354.23
3.48
protizinic acid 13799-03-6 C17H17NO3S 315.39
4.69
tinoridine 24237-54-5 C17H20N2O2S 316.42
2.52
firocoxib; Previcox 189954-96-9 C17H20O5S 336.41
2.25
etodolac 41340-25-4 C17H21NO3 287.36
2.10
anisodine 52646-92-1 C17H21NO5 319.36
1.71
fenpipalone 21820-82-6 C17H22N2O2 286.37
2.84
proxazole 5696-09-3 C17H25N3O 287.41
2.47
amixetrine 24622-72-8 C17H27NO 261.41
4.09
tioxaprofen 40198-53-6 C18H13Cl2NO3S 394.28
2.99
denotivir 51287-57-1 C18H14ClN3O2S 371.85
3.20
sulfasalazin; salicylazosulfapyridine 599-79-1 C18H14N4O5S 398.39
2.23
flumizole 36740-73-5 C18H15F3N2O2 348.32
2.48
delmetacin 16401-80-2 C18H15NO3 293.32
4.27
oxaprozin 21256-18-8 C18H15NO3 293.32
3.23
fluproquazone 40507-23-1 C18H17FN2O 296.34
1.88
tranilast 53902-12-8 C18H17NO5 327.34
3.27
anitrazafen 63119-27-7 C18H17N3O2 307.35
3.05
ufenamate 67330-25-0 C18H18F3NO2 337.34
3.43
etofenamate 30544-47-9 C18H18F3NO4 369.34
3.56
3-hydroxyproquazone; compound 50-892 65765-07-3 C18H20N2O2 296.37
3.25
naproxinod 163133-43-5 C18H21NO6 347.37
2.67
terbucromil 37456-21-6 C18H22O4 302.37
5.08
darbufelone 139226-28-1 C18H24N2O2S 332.47
5.07
Hydroxychloroquine; Plaquenil; 2-((4-((7-chloro-4-quinolyl)amino)pentyl)ethylamino)-ethanol 118-42-3 C18H26ClN3O 335.88
4.63
tazofelone 136433-51-7 C18H27NO2S 321.48
5.04
dibrospidium chloride 86641-76-1 C18H32Br2Cl2N4O2 567.20
-1.18
clindamycin 18323-44-9 C18H33ClN2O5S 424.99
0.53
palmidrol 544-31-0 C18H37NO2 299.50
4.61
diacerein 13739-02-1 C19H12O8 368.30
3.87
benzobarbital 744-80-9 C19H16N2O4 336.35
1.47
zidometacin 62851-43-8 C19H16N4O4 364.36
3.23
bis(4-hydroxycinnamoyl)methane; BHCMT 24939-16-0 C19H16O4 308.33
3.83
oxametacin; oxametacine 27035-30-9 C19H17ClN2O4 372.81
4.27
mofezolac 78967-07-4 C19H17NO5 339.35
3.24
metastat; incyclinide 15866-90-7 C19H17NO7 371.34
-1.12
nafamostat 81525-10-2 C19H17N5O2 347.38
0.54
ciproquazone 33453-23-5 C19H18N2O2 306.36
3.73
flazalone 21221-18-1 C19H19F2NO2 331.36
4.30
etersalate 62992-61-4 C19H19NO6 357.36
3.31
morniflumate 65847-85-0 C19H20F3N3O3 395.38
3.27
ditazole 18471-20-0 C19H20N2O3 324.38
3.44
oxyphenbutazone; Tanderil 129-20-4 C19H20N2O3 324.38
3.16
vedaprofen 71109-09-6 C19H22O2 282.38
3.31
benzydamine 642-72-8 C19H23N3O 309.41
2.32
prifelone 69425-13-4 C19H24O2S 316.46
5.06
sanguinarium chloride; also CAS 2447-54-3 5578-73-4 C20H14ClNO4 367.79
3.17
floctafenine 23779-99-9 C20H17F3N2O4 406.36
3.68
tepoxalin; RWJ-20485 103475-41-8 C20H20ClN3O3 385.85
3.96
ampiroxicam 99464-64-9 C20H21N3O7S 447.47
3.06
amodiaquine 86-42-0 C20H22ClN3O 355.87
3.81
tilnoprofen arbamel 159098-79-0 C20H22N2O4 354.41
3.39
timegadine 71079-19-1 C20H23N5S 365.50
0.72
tebufelone 112018-00-5 C20H28O2 300.44
5.03
talniflumate 66898-62-2 C21H13F3N2O4 414.34
3.46
paranyline; renytoline 1729-61-9 C21H16N2 296.37
5.08
tomoxiprole 76145-76-1 C21H20N2O 316.40
4.28
naftifine; naftifin 65472-88-0 C21H21N 287.41
5.05
bufezolac 50270-32-1 C21H22N2O2 334.42
3.96
olopatadine 113806-05-6 C21H23NO3 337.42
4.33
(-)-arctigenin 7770-78-7 C21H24O6 372.42
3.16
flunixine meglumine 42461-84-7 C21H26F3N3O7 489.44
1.88
loteprednol 129260-79-3 C21H27ClO5 394.89
2.29
fluprednisolone 53-34-9 C21H27FO5 378.44
1.35
hydrocortisone; cortisol 50-23-7 C21H30O5 362.47
1.80
imisopasem manganese 218791-21-0 C21H35Cl2MnN5 483.39
2.72
icrocaptide 169543-49-1 C21H40N8O5 484.60
-4.01
indoxole 5034-76-4 C22H19NO2 329.40
6.38
piketoprofen 60576-13-8 C22H20N2O2 344.41
3.05
sermetacin 57645-05-3 C22H21ClN2O6 444.87
4.27
cinnopentazone 2056-56-6 C22H22N2O2 346.43
3.16
rimacalib 215174-50-8 C22H23FN4O2 394.45
0.78
seratrodast; CAS also 112665-43-7 103186-19-2 C22H26O4 354.45
2.09
halometasone 50629-82-8 C22H27ClF2O5 444.90
1.95
fluocortin 33124-50-4 C22H27FO5 390.45
1.98
meclorisone 4732-48-3 C22H28Cl2O4 427.37
1.96
flumetasone; flumethasone 2135-17-3 C22H28F2O5 410.46
1.94
beclometasone; beclomethasone 4419-39-0 C22H29ClO5 408.92
1.94
fluorometholone 426-13-1 C22H29FO4 376.47
2.00
paramethasone 53-33-8 C22H29FO5 392.47
1.97
endrisone; endrysone 35100-44-8 C22H30O3 342.48
2.00
atiprimod 123018-47-3 C22H44N2 336.61
4.01
fenflumizol 73445-46-2 C23H18F2N2O2 392.40
5.10
isofezolac 50270-33-2 C23H18N2O2 354.41
4.00
licofelone 156897-06-2 C23H22ClNO2 379.89
3.12
isoflupredone acetate 338-98-7 C23H29FO6 420.48
2.38
amtolmetin guacil 87344-06-7 C24H24N2O5 420.46
3.19
suxibuzone 27470-51-5 C24H26N2O6 438.48
3.03
cormethasone acetate; cormetasone acetate 35135-67-2 C24H29F3O6 470.48
3.21
etiprednol dicloroacetate 199331-40-3 C24H30Cl2O6 485.40
1.97
harpagoside 19210-12-9 C24H30O11 494.49
0.96
loteprednol etabonate 82034-46-6 C24H31ClO7 466.96
2.13
fluorometholone acetate 3801-06-7 C24H31FO5 418.50
2.45
famprofazone 22881-35-2 C24H31N3O 377.53
2.00
rimexolone 49697-38-3 C24H34O3 370.53
2.00
algestone acetonide 4968-09-6 C24H34O4 386.53
3.50
drocinonide 2355-59-1 C24H35FO6 438.54
3.74
fendosal 53597-27-6 C25H19NO3 381.43
3.06
GF-109203X 133052-90-1 C25H24N4O2 412.49
2.63
glucametacin 52443-21-7 C25H27ClN2O8 518.95
2.05
fluazacort 19888-56-3 C25H30FNO6 459.51
2.34
halobetasol propionate 66852-54-8 C25H31ClF2O5 484.97
3.01
ulobetasol 98651-66-2 C25H31ClF2O5 484.97
3.01
deflazacort 14484-47-0 C25H31NO6 441.52
2.34
pipebuzone 27315-91-9 C25H32N4O2 420.56
3.13
tilorone 27591-97-5 C25H34N2O3 410.56
3.83
butixocort 120815-74-9 C25H36O5S 448.62
2.16
mometasone furoate 83919-23-7 C26H28Cl2O6 507.41
3.08
diflorasone diacetate 33564-31-7 C26H32F2O7 494.53
3.30
flunisolide acetate 4533-89-5 C26H33FO7 476.54
2.19
posaraprost 172740-14-6 C26H34O4 410.55
6.20
methylprednisolone 21-hemisuccinate 2921-57-5 C26H34O8 474.55
3.31
fluocortin-butyl 41767-29-7 C26H35FO5 446.55
3.04
amcinafal 3924-70-7 C26H35FO6 462.56
1.83
olvanil 58493-49-5 C26H43NO3 417.63
6.84
talmetacin 67489-39-8 C27H20ClNO6 489.91
2.59
firategrast 402567-16-2 C27H27F2NO6 499.51
3.58
fluticasone furoate 397864-44-7 C27H29F3O6S 538.58
3.05
difluprednate 23674-86-4 C27H34F2O7 508.56
1.93
(-)-arctiin 20362-31-6 C27H34O11 534.56
1.72
amcinonide 51022-69-6 C28H35FO7 502.58
2.33
alclometasone dipropionate 66734-13-2 C28H37ClO7 521.05
3.14
beclomethasone dipropionate 5534-09-8 C28H37ClO7 521.05
3.43
flezelastine 135381-77-0 C29H32FN3O 457.59
3.85
naflocort 59497-39-1 C29H33FO4 464.58
2.08
amcinafide 7332-27-6 C29H33FO6 496.57
1.82
tribenoside 10310-32-4 C29H34O6 478.58
3.35
antrafenine 55300-29-3 C30H26F6N4O2 588.55
4.87
antrafenine dihydrochloride 55300-30-6 C30H28Cl2F6N4O2 661.47
5.08
valategrast 220847-86-9 C30H32Cl3N3O4 604.96
4.23
triamcinolone hexacetonide 5611-51-8 C30H41FO7 532.65
2.23
beta-boswellic acid 631-69-6 C30H48O3 456.71
4.15
nicocortonide 65415-41-0 C31H37NO7 535.64
2.15
dexamethasone cipecilate 132245-57-9 C33H43FO7 570.70
3.29
camobucol 216167-92-9 C33H50O4S2 574.89
6.06
dersalazine 188913-58-8 C35H32N6O4 600.68
4.62
succinobucol 216167-82-7 C35H52O5S2 616.92
6.06
elsibucol 216167-95-2 C35H54O4S2 602.94
6.06
manzamine A 104196-68-1 C36H44N4O 548.77
1.98
proxifezone 34427-79-7 C41H49N3O4 647.86
5.16
bimoseiamose 187269-40-5 C46H54O16 862.92
1.76
mipragoside 131129-98-1 C46H91NO10 818.23
6.46


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