Calcium channel blockers [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
risedronic acid 105462-24-6 C7H11NO7P2 283.11
-0.94
lamotrigine 84057-84-1 C9H7Cl2N5 256.09
1.01
fasudil 103745-39-7 C14H17N3O2S 291.37
0.50
valperinol 64860-67-9 C14H24N2O4 297.39
1.81
(R)-SQ 32,926 131275-84-8 C16H18N4O6 362.34
2.05
1,4-dihydropyridine deriv.; CAS 5476-81-3 5476-81-3 C17H18ClNO4 335.78
2.20
1,4-dihydropyridine deriv.; CAS 21881-77-6 21881-77-6 C17H18N2O6 346.34
2.20
1,4-dihydropyridine deriv.; CAS 161838-99-9 161838-99-9 C17H18N2O6 346.34
2.20
1,4-dihydropyridine deriv.; CAS 70677-78-0 70677-78-0 C17H19NO4 301.34
2.20
1,4-dihydropyridine deriv.; CAS 21889-33-8 21889-33-8 C17H20N2O4 316.36
2.20
tranilast 53902-12-8 C18H17NO5 327.34
3.27
1,4-dihydropyridine deriv.; CAS 53219-40-2 53219-40-2 C18H18F3NO4 369.34
2.20
riodipine 71653-63-9 C18H19F2NO5 367.35
2.20
fostedil 75889-62-2 C18H20NO3PS 361.40
4.51
1,4-dihydropyridine deriv.; CAS 80307-08-0 80307-08-0 C18H21NO4 315.37
2.20
crychine 4040-75-9 C19H17NO4 323.35
3.21
aranidipine 86780-90-7 C19H20N2O7 388.38
2.20
oxodipine 90729-41-2 C19H21NO6 359.38
2.20
darodipine 72803-02-2 C19H21N3O5 371.39
2.20
mesudipine 62658-88-2 C19H24N2O4S 376.47
2.20
bencyclane 2179-37-5 C19H31NO 289.46
6.51
perhexiline 6621-47-2 C19H35N 277.50
5.00
levamiodipine 103129-82-4 C20H25ClN2O5 408.88
2.20
terodiline 15793-40-5 C20H27N 281.44
4.11
dopropidil 79700-61-1 C20H35NO2 321.50
1.57
clevidipine; CAS also 167221-71-8 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
emopamil 78370-13-5 C23H30N2 334.51
3.79
prenylamine 390-64-7 C24H27N 329.49
4.63
naftopidil 57149-07-2 C24H28N2O3 392.50
4.56
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
diproteverine 69373-95-1 C26H35NO4 425.57
3.38
devapamil 92302-55-1 C26H36N2O3 424.58
3.79
tiapamil 57010-31-8 C26H37NO8S2 555.71
-0.15
barnidipine (base) 104713-75-9 C27H29N3O6 491.54
2.20
lomerizine dihydrochloride; KB 2796 101477-54-7 C27H32Cl2F2N2O3 541.47
3.40
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
2.20
gallopamil 16662-47-8 C28H40N2O5 484.64
3.79
elgodipine 119413-55-7 C29H33FN2O6 524.59
2.20
dotarizine 84625-59-2 C29H34N2O2 442.60
5.31
mibefradil 116644-53-2 C29H38FN3O3 495.64
1.65
mibefradil dihydrochloride 116666-63-8 C29H40Cl2FN3O3 568.56
1.84
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
lercanidipine 100427-26-7 C36H41N3O6 611.74
2.20
watanidipine dihydrochloride; AE-0047 133743-71-2 C41H44Cl2N4O6 759.73
2.22
vatanidipine 116308-55-5 C42H44N4O6 700.84
2.21


These data provided free by TerraBase Inc.

Copyright © 2004-2017 TerraBase Inc.