Anthelmintics [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
chlomizole 4897-31-8 C4H4ClN3O2 161.55
0.17
trichlorfon; Dipterex; Dylox; DEP 52-68-6 C4H8Cl3O4P 257.44
0.45
piperazine 110-85-0 C4H10N2 86.14
-1.26
picadex 99-00-3 C5H10N2S2 162.28
0.13
benzimidazole 51-17-2 C7H6N2 118.14
1.51
3-arsanilic acid, N-acetyl-4-hydroxy-, sodium salt 5892-48-8 C8H8AsNNa2O5 319.06
1.43
clorsulon 60200-06-8 C8H8Cl3N3O4S2 380.66
-0.16
thiofuradene 2240-21-3 C8H8N4O3S 240.24
0.45
arecoline 63-75-2 C8H13NO2 155.20
1.69
arecoline hydrobromide 300-08-3 C8H14BrNO2 236.11
1.69
arecoline hydrochloride 61-94-9 C8H14ClNO2 191.66
1.61
butonate 126-22-7 C8H14Cl3O5P 327.53
0.45
thiabendazole 148-79-8 C10H7N3S 201.25
2.47
nitrodan 962-02-7 C10H8N4O3S2 296.33
1.85
lobendazole 6306-71-4 C10H11N3O2 205.22
1.52
albendazole-2-aminosulfone 80983-34-2 C10H13N3O2S 239.30
2.18
N'-(4-aminophenyl)-N,N-dimethylethanimidamide 35556-08-2 C10H15N3 177.25
1.70
stibosamine 5959-10-4 C10H18N2O3Sb 336.02
0.85
piperazine citrate [anhydrous] 144-29-6 C10H18N2O7 278.26
1.12
piperazine citrate [hydrate] 41372-10-5 C10H18N2O7 278.26
-1.81
centperazine 25143-13-9 C10H20N3O 198.29
0.70
1-piperazinecarboxamide, N,N-diethyl-4-methyl-, hydrochloride 5348-97-0 C10H22ClN3O 235.76
-1.77
psoralen; ficusin 66-97-7 C11H6O3 186.17
1.77
methyl 6-(1,2,2-trichloroethenyl)imidazo[1,2-a]pyridine-2-carbamate 71820-94-5 C11H8Cl3N3O2 320.56
1.59
thiacetarsamide sodium 14433-82-0 C11H10AsNNa2O5S2 421.23
1.08
4-bromotetramisole 6646-46-4 C11H11BrN2S 283.20
2.78
nitramisole 6363-02-6 C11H11N3O2S 249.29
2.91
levamisole 14769-73-4 C11H12N2S 204.29
2.95
levamisole hydrochloride 16595-80-5 C11H13ClN2S 240.76
2.79
tetramisole hydrochloride 5086-74-8 C11H13ClN2S 240.76
0.84
nitramisole hydrochloride 56689-44-2 C11H13ClN3O2S 286.76
2.16
pyrantel 15686-83-6 C11H14N2S 206.31
2.01
vincofos 17196-88-2 C11H21Cl2O4P 319.16
1.47
niclofolan 10331-57-4 C12H6Cl2N2O6 345.09
1.39
oxynide 852-20-0 C12H6Cl2N2O6S 377.16
3.52
bithionoloxide 844-26-8 C12H6Cl4O3S 372.05
2.08
2-hydroxy-2',3,4',5,5',6-hexachlorobenzenesulfonanilide 36782-06-6 C12H6Cl5NO3S 421.51
2.44
sodium stibocaptate 1986-66-9 C12H6Na6O12S6Sb2 915.99
1.63
arprinocid 55779-18-5 C12H9ClFN5 277.69
0.68
anthiolimine 305-97-5 C12H9Li6O12S3Sb 604.78
-3.03
phenothiazine 92-84-2 C12H9NS 199.27
4.15
ethyl-6-ethoxybenzothiazole-2-carbamate 28953-25-5 C12H14N2O3S 266.32
2.40
tioxidazole 61570-90-9 C12H14N2O3S 266.32
2.04
albendazole 54965-21-8 C12H15N3O2S 265.33
2.53
oxibendazole 20559-55-1 C12H15N3O3 249.27
1.52
albendazole oxide 54029-12-8 C12H15N3O3S 281.33
2.44
albendazole sulfone 75184-71-3 C12H15N3O4S 297.33
2.24
(7R,9S)-(-)-caulophylline 486-86-2 C12H16N2O 204.27
0.27
morantel 20574-50-9 C12H16N2S 220.34
2.10
3,5-dibromo-N-(4-chloro-3-nitrophenyl)salicylamide 72699-06-0 C13H7Br2ClN2O4 450.48
2.83
nitroclofene 39224-48-1 C13H8Cl2N2O6 359.12
0.38
nitroscanate 19881-18-6 C13H8N2O3S 272.28
4.03
dibromsalan 87-12-7 C13H9Br2NO2 371.04
3.26
amoscanate 26328-53-0 C13H9N3O2S 271.30
4.94
resorantel 20788-07-2 C13H10BrNO3 308.14
3.25
cyclobendazole 31431-43-3 C13H13N3O3 259.26
1.94
oxantel 36531-26-7 C13H16N2O 216.28
1.98
parbendazole 14255-87-9 C13H17N3O2 247.30
1.52
amidantel 49745-00-8 C13H19N3O2 249.31
1.92
mirasan 2519-75-7 C13H21ClN2 240.78
2.28
3,5-dichloro-N-(2-chloro-4-isothiocyanatophenyl)salicylamide 136769-35-2 C14H7Cl3N2O2S 373.64
2.99
triclabendazole 68786-66-3 C14H9Cl3N2OS 359.66
3.22
triclabendazole sulfoxide 100648-13-3 C14H9Cl3N2O2S 375.66
1.66
4-toluoyl chloride phenylhydrazone 25939-01-9 C14H13ClN2 244.72
2.84
cambendazole 26097-80-3 C14H14N4O2S 302.36
1.60
phthalofyne 131-67-9 C14H14O4 246.26
1.34
netobimin 88255-01-0 C14H20N4O7S2 420.46
2.12
clonostachydiol 147317-35-9 C14H20O6 284.31
-0.35
desoxyoxamniquine 21738-41-0 C14H21N3O2 263.34
3.19
oxamniquine 21738-42-1 C14H21N3O3 279.34
1.47
2-([methoxycarbonylamino]-(2-nitro-5-[n-propylthio]phenylimino)methylamino)ethansulfonic acid 100098-41-7 C14H22N4O7S2 422.48
1.00
piperazine calcium edetate 12002-30-1 C14H24CaN4O8 416.45
-0.08
brotianide 23233-88-7 C15H10Br2ClNO2S 463.58
2.69
clioxanide 14437-41-3 C15H10ClI2NO3 541.51
2.59
luxabendazole 90509-02-7 C15H12FN3O5S 365.34
1.53
fenbendazole 43210-67-9 C15H13N3O2S 299.35
4.12
methyl 6-(phenylsulfinyl)imidazo(1,2-a)pyridine-2-carbamate 64064-54-6 C15H13N3O3S 315.35
2.30
oxfendazole 53716-50-0 C15H13N3O3S 315.35
2.23
lapachol; Natural Yellow 16; CI 75490 84-79-7 C15H14O3 242.27
1.75
prantel tartrate 33401-94-4 C15H18N2O6S 354.38
1.11
alpha-santonin 481-06-1 C15H18O3 246.31
3.85
ticarbodine 31932-09-9 C15H19F3N2S 316.39
2.03
butamisole 54400-59-8 C15H19N3OS 289.40
3.10
dribendazole 63667-16-3 C15H19N3O2S 305.40
2.51
butamisole hydrochloride 54400-62-3 C15H20ClN3OS 325.86
2.45
cyclocostunolide 2221-81-0 C15H20O2 232.32
2.74
atpenin A5 119509-24-9 C15H25Cl2NO5 370.27
2.12
matrine 519-02-8 C15H26N2O 250.39
2.59
flubendazole oxime 134785-76-5 C16H13FN4O3 328.30
2.25
mebendazole 31431-39-7 C16H13N3O3 295.30
1.55
5-hydroxymebendazole 60254-95-7 C16H15N3O3 297.31
1.52
Cgp-8065 62939-04-2 C16H15N3O4S2 377.44
3.54
triclofenol piperazine 5714-82-9 C16H16Cl6N2O2 481.03
7.46
naftalofos; naphthalophos 1491-41-4 C16H16NO6P 349.28
2.52
Cgp 20376 81059-04-3 C16H20N2O3S3 384.54
3.02
morantel tartrate 26155-31-7 C16H20N2O6S 368.41
1.36
alpha-sanshool 504-97-2 C16H25NO 247.38
2.98
diethylcarbamazine citrate 1642-54-2 C16H29N3O8 391.42
0.35
5(6)-1(2H)-phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester 138525-71-0 C17H13N5O3 335.32
1.98
sulazuril 108258-89-5 C17H15Cl2N3O5S 444.29
0.83
bephenium; N-benzyl-N,N-dimethyl-2-phenoxyethanaminium 7181-73-9 C17H22NO 256.37
-0.89
pyrantel citrate 5685-86-9 C17H22N2O7S 398.43
0.95
imcarbofos 66608-32-0 C17H30N4O7P2S2 528.52
1.52
alpha-cyano-beta-hydroxy-N-(4-(trifluoromethyl)phenyl)-3-(4-(trifluoromethyl)phenyl)propenamide 136185-95-0 C18H10F6N2O2 400.28
3.75
2'-chloro-1-hydroxy-2-naphthanilide-4'-isothiocyanate 67728-25-0 C18H11ClN2O2S 354.81
4.69
etibendazole 64420-40-2 C18H16FN3O4 357.34
1.55
jietacin A 109766-61-2 C18H34N2O2 310.48
4.09
DEP; N-(2-(dodecyloxy)ethyl)pyrrolidine hydrochloride 34965-01-0 C18H38ClNO 319.96
3.25
rafoxanide 22662-39-1 C19H11Cl2I2NO3 626.01
4.04
bromoxanide 41113-86-4 C19H18BrF3N2O4 475.27
3.51
praziquantel S 55268-74-1 C19H24N2O2 312.41
2.67
4-hydroxypraziquantel 60743-58-0 C19H24N2O3 328.41
2.41
uredofos 52406-01-6 C19H25N4O6PS2 500.53
2.16
divezid 52109-02-1 C19H34N6O9 490.51
0.12
jietacin B 109766-62-3 C19H36N2O2 324.51
4.26
tegalide 67358-44-5 C20H11Br2Cl2NO3 544.04
3.29
N-(4-chloro-3-(4-chlorobenzoyl)phenyl)-2-hydroxy-3,5-diiodobenzamide 80859-11-6 C20H11Cl2I2NO3 638.03
3.35
salantel 36093-47-7 C20H11Cl2I2NO3 638.03
3.35
monepantel 887148-69-8 C20H13F6N3O2S 473.39
4.61
trichlorophene 6642-07-5 C20H15Cl3O3 409.70
4.32
8-chloro-2-(2-(diethylamino)ethyl)-2H-(1)benzothiopyrano[4,3,2-cd]indazole-5-methanol 24167-40-6 C20H22ClN3OS 387.93
4.44
1-n-butylcarbamoyl oxfendazole 62020-59-1 C20H22N4O4S 414.48
2.89
febantel 58306-30-2 C20H22N4O6S 446.48
2.98
miracil B 3761-70-4 C20H23ClN2O2 358.87
3.41
miracil A 3569-84-4 C20H24N2O2 324.42
3.40
miracil C 3569-85-5 C20H26N2O2 326.44
3.35
trilostane 13647-35-3 C20H27NO3 329.44
4.01
destomycin A 14918-35-5 C20H37N3O13 527.52
-3.70
dymanthine; N,N-dimethyloctadecylamine 124-28-7 C20H43N 297.57
5.31
dymanthine hydrochloride 1613-17-8 C20H44ClN 334.03
3.23
thenium closilate 4304-40-9 C21H24ClNO4S2 454.01
3.51
hycanthone methanesulfonate 30922-68-0 C21H26N2O4S2 434.58
2.70
anthelmycin; see also CAS 12706-94-4 1402-84-2 C21H37N5O14 583.55
-3.50
closantel 57808-65-8 C22H14Cl2I2N2O2 663.08
3.64
VM-55599 148717-88-8 C22H27N3O 349.48
3.07
nafuredin C22H32O4 360.49
6.22
nafuredin-gamma C22H32O4 360.49
6.04
tuberostemonine 6879-01-2 C22H34NO4 376.52
2.86
5-3-(dimethylamino)propoxycarbonyl-7-oxo-7H-benzo[c]fluorene monohydrochloride 140865-90-3 C23H22ClNO3 395.89
3.15
metoquin 69-05-6 C23H32Cl3N3O 472.89
2.77
pyrvinium chloride 548-84-5 C24H24ClN3 389.93
3.06
2-hydroxy-5-bromdiphenylmethane-3-carboxylate 4-nitroanilide 115815-30-0 C24H25BrN4O4 513.40
2.25
desaspidin 114-43-2 C24H30O8 446.50
3.20
carbantel lauryl sulfate 54644-15-4 C24H42ClN3O5S 520.13
2.40
bemosat 51489-69-1 C25H27Cl2NO5S 524.46
-0.89
acetanilide, 4'-(4-(3-(dimethylamino)propyl)-1-piperazinyl)-, maleate (1:2) 1252-69-3 C25H36N4O9 536.58
1.64
bunamidine hydrochloride 1055-55-6 C25H39ClN2O 419.05
3.51
sclerotamide C26H29N3O5 463.53
5.95
marcfortine C C27H33N3O3 447.58
5.94
marcfortine B C27H33N3O4 463.58
5.94
paraherquamide B C27H33N3O4 463.58
5.95
bephenium hydroxynaphthoate 3818-50-6 C28H29NO4 443.54
4.42
tribendimidine 115103-15-6 C28H32N6 452.61
5.21
paraherquamide D C28H33N3O5 491.59
5.94
VM-55597 120312-86-9 C28H33N3O6 507.59
5.95
marcfortine A 75731-43-0 C28H35N3O4 477.60
5.95
paraherquamide E C28H35N3O4 477.60
5.95
paraherquamide A 77392-58-6 C28H35N3O5 568.81
5.95
VM-55596; paraherquamide-31-oxide 141137-59-9 C28H35N3O6 509.60
5.94
derquantel 187865-22-1 C28H37N3O4 479.62
5.95
paraherquamide C C29H35N3O4 489.62
5.76
diphezyl 34987-38-7 C30H30ClNO5 520.02
4.25
isochuanliansu 97871-44-8 C30H38O11 574.62
4.15
stilbazium iodide 3784-99-4 C31H36IN3 577.55
4.08
butynorate; dibutyltin dilaurate 77-58-7 C32H64O4Sn 631.55
7.99
pyrantel pamoate 22204-24-6 C34H30N2O6S 594.69
3.05
milbemycin B deriv. 112125-00-5 C34H48O7 568.75
5.82
VM 44866 115021-83-5 C34H48O8 584.75
5.82
milbemycin B deriv. 115008-94-1 C35H50O8 598.78
5.30
oxantel pamoate 68813-55-8 C36H32N2O7 604.66
3.08
UK 80695 127346-86-5 C38H54O9 654.84
3.20
UK 78624 127346-82-1 C38H54O10 670.84
2.32
UK-78629 127346-83-2 C39H56O10 684.87
1.32
VM 44865 115021-84-6 C40H56O10 696.88
1.28
UK 80694 127346-84-3 C42H60O12 756.93
1.34
ivermectin B1a 71827-03-7 C47H72O14 861.08
2.40
ivermectin B1b 70209-81-3 C47H72O14 861.08
2.43
avermectin B1a 65195-55-3 C48H72O14 873.09
2.47
emamectin B1b 137335-79-6 C48H73NO13 872.11
2.46
avermectin B2a 65195-57-5 C48H74O15 891.10
2.38
P1S-287-243 C50H74N6O12 951.17
4.04
doramectin 117704-25-3 C50H74O14 899.13
2.47
eprinomectin B1b 123997-26-2 C50H75NO14 914.14
2.48
suramin 145-63-1 C51H40N6O23S6 1297.28
5.01
PF-1022-A 133413-70-4 C52H76N4O12 949.20
0.24
emodepside 155030-63-0 C60H90N6O14 1119.41
0.26
povan; pyrvinium pamoate 3546-41-6 C75H70N6O6 1151.40
2.16


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