Calcium channel blockers

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


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME CAS FORMULA MWTerraQSAR - LOGP
clodronic acid 10596-23-3 CH4Cl2O6P2 244.89
-3.49
oxidronic acid 15468-10-7 CH6O7P2 192.00
-3.49
zoledronate; zoledronic acid 118072-93-8 C5H10N2O7P2 272.09
-3.93
neridronic acid 79778-41-9 C6H17NO7P2 277.15
-3.92
risedronic acid 105462-24-6 C7H11NO7P2 283.11
-0.94
incadronic acid 124351-85-5 C8H19NO6P2 287.19
-1.61
lamotrigine 84057-84-1 C9H7Cl2N5 256.09
1.01
minodronic acid 127657-42-5 C9H12N2O7P2 322.15
0.88
fasudil 103745-39-7 C14H17N3O2S 291.37
0.50
flindokalner 187523-35-9 C16H10ClF4NO2 359.71
3.49
(R)-SQ 32,926 131275-84-8 C16H18N4O6 362.34
2.05
tranilast 53902-12-8 C18H17NO5 327.34
3.27
fostedil 75889-62-2 C18H20NO3PS 361.40
4.51
calcium glubionate [monohydrate] 12569-38-9 C18H34CaO20 610.53
-3.70
elnadipine 103946-15-2 C19H19Cl2N3O3 408.28
3.39
aranidipine 86780-90-7 C19H20N2O7 388.38
2.20
oxodipine 90729-41-2 C19H21NO6 359.38
2.20
bencyclane 2179-37-5 C19H31NO 289.46
6.51
terodiline 15793-40-5 C20H27N 281.44
4.11
dopropidil 79700-61-1 C20H35NO2 321.50
1.57
clevidipine 166432-28-6 C21H23Cl2NO6 456.32
2.20
furnidipine 138661-03-7 C21H24N2O7 416.43
2.20
enecadin 259525-01-4 C21H28FN3O 357.47
2.69
olradipine 115972-78-6 C22H28Cl2N2O6 487.38
2.20
emopamil 78370-13-5 C23H30N2 334.51
3.79
prenylamine 390-64-7 C24H27N 329.49
4.63
falipamil 77862-92-1 C24H32N2O5 428.53
2.65
nexopamil 136033-49-3 C24H40N2O3 404.59
3.79
embusartan 156001-18-2 C25H24FN5O3 461.50
2.89
pranidipine 99522-79-9 C25H24N2O6 448.47
2.20
brinazarone 89622-90-2 C25H32N2O2 392.54
3.29
niludipine 22609-73-0 C25H34N2O8 490.55
2.20
flordipine 77590-96-6 C26H33F3N2O5 510.55
2.20
flosatidil 113593-34-3 C26H34F3N3O3S 525.63
2.72
devapamil 92302-55-1 C26H36N2O3 424.58
3.79
tiapamil 57010-31-8 C26H37NO8S2 555.71
-0.15
sagandipine 126294-30-2 C27H31FN2O5 482.55
2.20
secalciferol 55721-11-4 C27H44O3 416.65
3.49
belfosdil 103486-79-9 C27H50O7P2 548.64
1.36
monatepil 132019-54-6 C28H30FN3OS 475.63
2.73
benidipine 105979-17-7 C28H31N3O6 505.57
2.20
iganidipine 119687-33-1 C28H38N4O6 526.63
2.20
teludipine 108687-08-7 C28H39ClN2O6 535.08
2.23
gallopamil 16662-47-8 C28H40N2O5 484.64
3.79
levosemotiadil, (S)-isomer of semotiadil 116476-16-5 C29H32N2O6S 536.65
2.70
semotiadil, (R)-isomer 116476-13-2 C29H32N2O6S 536.65
2.70
elgodipine 119413-55-7 C29H33FN2O6 524.59
2.20
palonidipine 96515-73-0 C29H34FN3O6 539.60
2.20
dotarizine 84625-59-2 C29H34N2O2 442.60
5.31
mibefradil 116644-53-2 C29H38FN3O3 495.64
1.65
cronidipine 113759-50-5 C30H32ClN3O8 598.05
2.20
lidoflazine 3416-26-0 C30H35F2N3O 491.63
4.97
fantofarone 114432-13-2 C31H38N2O5S 550.72
2.57
ronipamil 85247-77-4 C32H48N2 460.75
3.86
azelnidipine 123524-52-7 C33H34N4O6 582.66
2.20
anipamil 83200-10-6 C34H52N2O2 520.80
3.79
vatanidipine 116308-55-5 C42H44N4O6 700.84
2.21
Ziconotide 107452-89-1 C102H172N36O32S7 unavailable
-0.01


These data provided free by TerraBase Inc.

Copyright © 2004 by TerraBase Inc.