Platelet aggregation inhibitors [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
linsidomine 33876-97-0 C6H10N4O2 170.17
0.50
linsidomine hydrochloride 16142-27-1 C6H11ClN4O2 206.63
0.31
atrinositol 28841-62-5 C6H15O15P3 420.09
3.73
acadesine 2627-69-2 C9H14N4O5 258.23
-1.66
triflusal 322-79-2 C10H7F3O4 248.16
1.19
trapidil 15421-84-8 C10H15N5 205.26
1.15
piroximone 84490-12-0 C11H11N3O2 217.23
0.74
dacopafant 125372-33-0 C12H11N3OS 245.30
0.90
pelrinone 94386-65-9 C12H11N5O 241.25
0.89
motapizone 90697-57-7 C12H12N4OS 260.32
1.97
1-phenyl-1H-benzimidazole 2622-60-8 C13H10N2 194.24
2.05
1-phenylbenzimidazole deriv. 69445-45-0 C13H10N2O 210.24
1.59
1-(4-aminophenyl)-1H-benzimidazole 52708-36-8 C13H11N3 209.25
1.01
pentoxyfylline 6493-05-6 C13H18N4O3 278.31
-0.10
1-(4-formylphenyl)-1H-benzimidazole 90514-72-0 C14H10N2O 222.25
1.83
1-(4-carboxamidophenyl)-1H-benzimidazole 220495-55-6 C14H11N3O 237.26
1.30
1-(3-methoxyphenyl)-1H-benzimidazole 741731-37-3 C14H12N2O 224.26
1.59
1-(4-methoxyphenyl)-1H-benzimidazole 2622-61-9 C14H12N2O 224.26
1.53
oxagrelate 56611-65-5 C14H16N2O4 276.29
2.08
1-(4-acetylphenyl)-1H-benzimidazole 25700-10-1 C15H12N2O 236.27
1.60
enfenamic acid 23049-93-6 C15H15NO2 241.29
4.25
clopidogrel 113665-84-2 C16H16ClNO2S 321.83
3.09
sulotroban 72131-33-0 C16H17NO5S 335.38
1.41
dazmegrel 76894-77-4 C16H17N3O2 283.33
1.42
cangrelor 163706-06-7 C17H25Cl2F3N5O12P3S2 776.36
0.94
buflomedil 55837-25-7 C17H25NO4 307.39
1.81
itazigrel 70529-35-0 C18H14F3NO2S 365.37
3.79
tranilast 53902-12-8 C18H17NO5 327.34
3.27
embramine 3565-72-8 C18H22BrNO 348.29
3.74
xemilofiban 149820-74-6 C18H22N4O4 358.40
2.08
vintoperol 106498-99-1 C18H24N2O 284.40
3.07
ridogrel 110140-89-1 C19H18F3NO3 365.35
3.61
ditazole 18471-20-0 C19H20N2O3 324.38
3.44
mopidamol 13665-88-8 C19H31N7O4 421.50
0.95
neobavaisoflavone 41060-15-5 C20H18O4 322.36
4.58
satigrel 111753-73-2 C20H19NO4 337.37
3.12
prasugrel 150322-43-3 C20H20FNO3S 373.45
2.14
isobavachalcone 20784-50-3 C20H20O4 324.38
2.79
fradafiban 148396-36-5 C20H21N3O4 367.40
1.43
cloricromen 68206-94-0 C20H26ClNO5 395.88
2.56
domitroban 112966-96-8 C20H26NNaO4S 399.48
2.21
vinigrol 111025-83-3 C20H34O3 322.49
3.12
chelerythrine chloride 34316-15-9 C21H18ClNO4 383.83
3.09
picotamide 32828-81-2 C21H20N4O3 376.42
3.36
ramatroban 116649-85-5 C21H21FN2O4S 416.47
1.95
(-)-arctigenin 7770-78-7 C21H24O6 372.42
3.16
ifenprodil 23210-56-2 C21H27NO2 325.45
4.43
efegatran 105806-65-3 C21H32N6O3 416.53
1.17
ataprost 83997-19-7 C21H32O4 348.48
7.35
apafant 105219-56-5 C22H22ClN5O2S 455.97
2.61
iloprost 73873-87-7 C22H32O4 360.49
7.23
tirofiban 144494-65-5 C22H36N2O5S 440.60
0.43
bepafant 114776-28-2 C23H22ClN5O2S 467.98
2.70
regrelor 787548-03-2 C23H25N6O8 513.49
0.39
terbogrel 149979-74-8 C23H27N5O2 405.50
0.87
ticagrelor 274693-27-5 C23H28F2N6O4S 522.57
2.77
lexipafant 139133-26-9 C23H30N4O4S 458.58
1.42
nupafant 139133-27-0 C23H32N4O3S 444.60
1.22
argatroban 74863-84-6 C23H36N6O5S 508.64
-0.34
pimilprost 139403-31-9 C23H40O5 396.57
8.72
trequinsin 79855-88-2 C24H27N3O3 405.50
2.74
naftopidil 57149-07-2 C24H28N2O3 392.50
4.56
lamifiban 144412-49-7 C24H28N4O6 468.51
1.20
sarpogrelate 125926-17-2 C24H31NO6 429.51
3.16
pamicogrel 101001-34-7 C25H24N2O4S 448.54
3.76
samixogrel 133276-80-9 C25H25ClN2O4S 485.00
2.18
trifenagrel 84203-09-8 C25H25N3O 383.49
5.10
ifetroban 143443-90-7 C25H32N2O5 440.54
3.10
rocepafant 132418-36-1 C26H23ClN6OS2 535.09
2.24
setipafant 132418-35-0 C26H23ClN6O2S 519.03
2.18
rupatadine 158876-82-5 C26H26ClN3 415.97
4.15
(-)-arctiin 20362-31-6 C27H34O11 534.56
1.72
relcovaptan; SR-49059 150375-75-0 C28H27Cl2N3O7S 620.51
1.92
israpafant [both enantiomers] 117279-73-9 C28H29ClN4S 489.08
2.21
foropafant 136468-36-5 C28H40N4S 464.72
3.92
lifarizine 119514-66-8 C29H32N4 436.60
5.10
draflazine 120770-34-5 C30H33Cl2F2N5O2 604.53
3.31
vapiprost 85505-64-2 C30H39NO4 477.64
3.68
modipafant 122957-06-6 C34H29ClN6O3 605.10
4.30
eptifibatide 148031-34-9 C35H49N11O9S2 831.97
2.00
minopafant 128420-61-1 C46H73ClN4O9 861.56
4.81


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