Histamine antagonists [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
imetit 102203-18-9 C6H10N4S 170.24
1.68
zaltidine 85604-00-8 C8H10N6S 222.27
0.58
immethridine; [CAS for the hydrobromide] 87976-03-2 C9H9N3 159.19
1.19
immepip 151070-83-6 C9H15N3 165.24
0.29
metiamide 34839-70-8 C9H16N4S2 244.38
1.44
pemirolast 69372-19-6 C10H8N6O 228.21
0.89
tiotidine 69014-14-8 C10H16N8S2 312.42
0.33
methimepip; [CAS for dihydrobromide salt] 151070-80-3 C10H17N3 179.27
0.37
tuvatidine 91257-14-6 C10H17N9O2S3 391.50
-0.18
famotidine 76824-35-6 C10H19N7O2S3 365.50
-0.18
pirquinozol 65950-99-4 C11H9N3O2 215.21
1.63
isospaglumic acid 3106-85-2 C11H16N2O8 304.25
-1.64
ICI-162846 84545-30-2 C11H17F3N6O 306.29
-2.17
quazolast 86048-40-0 C12H7ClN2O3 262.65
1.39
tiacrilast 78299-53-3 C12H10N2O3S 262.29
1.94
eclazolast 80263-73-6 C12H12ClNO4 269.68
1.99
4-(4-piperidinyloxy)benzonitrile 224178-67-0 C12H14N2O 202.26
1.77
tiprinast 83153-39-3 C12H14N2O3S 266.32
1.56
etintidine 69539-53-3 C12H18N6S 278.38
0.49
doqualast 64019-03-0 C13H8N2O3 240.22
1.65
ozagrel sodium 82571-53-7-[b] C13H11N2NaO2 250.23
3.16
ozagrel 82571-53-7-[a] C13H12N2O2 228.25
2.43
asobamast 104777-03-9 C13H15N3O5S 325.34
1.49
proxyfan [CAS for maleate] 177708-09-7 C13H16N2O 216.28
1.54
mifentidine 83184-43-4 C13H16N4 228.30
1.50
rocastine 91833-77-1 C13H19N3OS 265.38
1.02
ranitidine 66357-35-5 C13H22N4O3S 314.41
0.66
tioxamast 74531-88-7 C14H14N2O4S 306.34
2.10
JNJ-777120 459168-41-3 C14H16ClN3O 277.75
-0.38
ebrotidine 100981-43-9 C14H17BrN6O2S3 477.43
-0.37
clobenpropit; Vuf 9153 145231-45-4 C14H17ClN4S 308.83
3.02
methapyrilene 91-80-5 C14H19N3S 261.39
2.65
cipralisant; GT-2331 213027-19-1 C14H20N2 216.33
1.86
thioperamide 106243-16-7 C15H24N4S 292.45
3.32
epinastine 80012-43-7 C16H15N3 249.32
2.98
ciproxifan [CAS for maleate] 184025-19-2 C16H18N2O2 270.33
2.00
fenethazine 522-24-7 C16H18N2S 270.40
4.59
brompheniramine 86-22-6 C16H19BrN2 319.25
3.37
chlorpheniramine; chlorphenamine 132-22-9 C16H19ClN2 274.79
3.38
dexchlorpheniramine 25523-97-1 C16H19ClN2 274.79
3.38
isothipendyl 482-15-5 C16H19N3S 285.41
4.98
noberastine 110588-56-2 C16H19N5O 297.36
2.54
chloropyramine 59-32-5 C16H20ClN3 289.81
3.26
pheniramine 86-21-5 C16H20N2 240.35
3.36
tripelennamine 91-81-6 C16H21N3 255.36
3.27
ramixotidine 84071-15-8 C16H21N3O3S 335.43
1.85
alloclamide 5486-77-1 C16H23ClN2O2 310.82
1.11
ambicromil 58805-38-2 C17H12O8 344.27
1.07
proxicromil 60400-92-2 C17H18O5 302.33
1.86
antazoline; atazoline 91-75-8 C17H19N3 265.36
4.39
mirtazapine; Org 3770 61337-67-5 C17H19N3 265.36
3.27
bromazine; bromodiphenhydramine 118-23-0 C17H20BrNO 334.26
3.32
promethazine 60-87-7 C17H20N2S 284.42
4.81
vapitadine 793655-64-8 C17H20N4O 296.37
1.67
promethazine hydrochloride 58-33-3 C17H21ClN2S 320.88
4.64
diphenhydramine 58-73-1 C17H21NO 255.36
3.27
phenyltoloxamine 92-12-6 C17H21NO 255.36
3.27
diphenhydramine hydrochloride 147-24-0 C17H22ClNO 291.82
3.18
pyrilamine; mepyramine; mepiramine 91-84-9 C17H23N3O 285.39
3.27
emedastine 87233-61-2 C17H26N4O 302.42
2.34
bufrolin 54867-56-0 C18H16N2O6 356.33
1.19
tranilast 53902-12-8 C18H17NO5 327.34
3.27
pirodomast 108310-20-9 C18H17N3O2 307.35
3.19
methdilazine 1982-37-2 C18H20N2S 296.44
4.62
parathiazine 84-08-2 C18H20N2S 296.44
4.59
chlorcyclizine 82-93-9 C18H21ClN2 300.83
3.43
embramine 3565-72-8 C18H22BrNO 348.29
3.74
carbinoxamine 486-16-8 C18H22ClN 287.83
3.97
chlorcyclizine hydrochloride; diparalene 1620-21-9 C18H22Cl2N2 337.29
2.54
cyclizine 82-92-8 C18H22N2 266.39
3.37
orphenadrine 83-98-7 C18H23NO 269.39
3.97
orphenadrine hydrochloride 341-69-5 C18H24ClNO 305.85
3.26
doxylamine 469-21-6 C18H24N2 268.40
2.91
cipralisant maleate; GT-2331 223420-20-0 C18H24N2O4 332.40
3.31
venritidine 93064-63-2 C18H26N4O3S 378.49
0.84
lamtidine 73278-54-3 C18H28N6O 344.46
2.95
dalcotidine 120958-90-9 C18H29N3O2 319.45
2.03
desloratadine 100643-71-8 C19H19ClN2 310.83
3.23
phenindamine 82-88-2 C19H19N 261.37
4.20
ketotifen 34580-13-7 C19H19NOS 309.43
3.76
pimethixene 314-03-4 C19H19NS 293.43
4.45
BP 2.94 139191-80-3 C19H19N3O 305.38
2.65
mebhydroline 524-81-2 C19H20N2 276.38
3.58
alcaftadine 147084-10-4 C19H21N3O 307.40
1.72
talastine 16188-61-7 C19H21N3O 307.40
1.70
oxmetidine 72830-39-8 C19H21N5O3S 399.47
0.41
triprolidine 486-12-4 C19H22N2 278.40
2.92
homochlorcyclizine 848-53-3 C19H23ClN2 314.86
3.53
diphenylpyraline 147-20-6 C19H23NO 281.40
3.28
histapyrrodine 493-80-1 C19H24N2 280.41
4.80
pibutidine 103922-33-4 C19H24N4O3 356.43
0.90
etoloxamine 1157-87-5 C19H25NO 283.41
3.28
dimetotiazine 7456-24-8 C19H25N3O2S2 391.56
4.70
roxatidine 78273-80-0 C19H28N2O4 348.44
2.45
osutidine [both enantiomers] 140695-21-2 C19H28N4O5S2 456.58
0.77
roxatidine acetate hydrochloride 93793-83-0 C19H29ClN2O4 384.90
1.33
batebulast 81907-78-0 C19H29N3O2 331.46
3.31
lavoltidine 76956-02-0 C19H29N5O2 359.47
3.29
repirinast 73080-51-0 C20H21NO5 355.39
3.87
azatadine 3964-81-6 C20H22N2 290.41
3.32
quifenadine 10447-39-9 C20H23NO 293.41
3.78
dimethindene 5636-83-9 C20H24N2 292.43
3.37
donetidine 99248-32-5 C20H25N5O3S 415.52
1.14
niperotidine 84845-75-0 C20H28N4O5S 436.53
2.39
sufotidine 80343-63-1 C20H31N5O3S 421.56
1.77
cyproheptadine 129-03-3 C21H21N 287.41
4.92
olopatadine 113806-05-6 C21H23NO3 337.42
4.33
temelastine 86181-42-2 C21H24BrN5O 442.37
2.40
efletirizine 150756-35-7 C21H24F2N2O3 390.43
3.26
cetirizine 83881-51-0 C21H25ClN2O3 388.89
3.26
levocetirizine 130018-77-8 C21H25ClN2O3 388.89
3.26
mequitamium iodide 101396-42-3 C21H25IN2S 464.41
4.35
perphenazine 58-39-9 C21H26ClN3OS 403.97
4.20
hydroxyzine 68-88-2 C21H27ClN2O2 374.91
3.37
cetirizine dihydrochloride 83881-52-1 C21H27Cl3N2O3 461.82
0.77
lupitidine trihydrochloride 72716-75-7 C21H30Cl3N5O2S 522.93
1.58
loratadine 79794-75-5 C22H23ClN2O2 382.89
5.20
azelastine 58581-89-8 C22H24ClN3O 381.91
2.27
tropirine 19410-02-7 C22H24N2O 332.45
3.42
acrivastine 87848-99-5 C22H24N2O2 348.45
2.52
sequifenadine 57734-69-7 C22H27NO 321.46
3.97
setastine 64294-95-7 C22H28ClNO 357.92
3.96
clemastine 15686-51-8 C22H29N 307.48
3.93
lafutidine 118288-08-7 C22H29N3O4S 431.55
2.55
eprozinol 32665-36-4 C22H30N2O2 354.49
3.84
ketotifen fumarate 34580-14-8 C23H23NO5S 425.5
2.47
tazifylline 79712-55-3 C23H32N6O3S 472.61
0.59
suplatast tosilate 94055-76-2 C23H33NO7S2 499.64
2.98
mizolastine 108612-45-9 C24H25FN6O 432.50
1.55
butanserin 87051-46-5 C24H26FN3O3 423.49
3.51
dimenhydrinate 523-87-5 C24H28ClN5O3 469.97
2.75
flutropium bromide 63516-07-4 C24H29BrFNO3 478.41
3.39
meclizine 569-65-3 C25H27ClN2 390.96
5.20
picumast 39577-19-0 C25H29ClN2O3 440.97
2.70
rupatadine 158876-82-5 C26H26ClN3 415.97
4.15
flunarizine 52468-60-7 C26H26F2N2 404.50
5.77
cinnarizine 298-57-7 C26H28N2 368.52
5.77
levocabastine 79516-68-0 C26H29FN2O2 420.53
3.78
levocabastine hydrochloride 79547-78-7 C26H30ClFN2O2 456.99
3.73
elbanizine 110629-41-9 C26H31N5O2 445.57
3.63
diacylgylcerol kinase inhibitor I 93076-89-2 C27H26FN3OS 459.59
3.50
revenast 85673-87-6 C27H29N5O 439.56
3.44
oxatomide 60607-34-3 C27H30N4O 426.56
5.10
astemizole 68844-77-9 C28H31FN4O 458.58
5.10
bilastine 202189-78-4 C28H37N3O3 463.62
3.65
seganserin 87729-89-3 C29H27F2N3O 471.55
4.76
flezelastine 135381-77-0 C29H32FN3O 457.59
3.85
tagorizine 118420-47-6 C30H36N4O 468.64
5.73
bamirastine 215529-47-8 C31H37N5O3 527.67
4.27
carebastine 90729-42-3 C32H37NO4 499.65
5.03
terfenadine 50679-08-8 C32H41NO2 471.68
4.94
lupitidine 83903-06-4 C34H43N7O2S 613.83
1.03


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