Phosphodiesterase 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
KS-504d 122005-23-6 C7H4Cl8O2 403.73
3.51
tiludronic acid 89987-06-4 C7H9ClO6P2S 318.61
2.33
medorinone 88296-61-1 C9H8N2O 160.18
1.45
amrinone 60719-84-8 C10H9N3O 187.20
1.54
dyphylline; diprophylline 479-18-5 C10H14N4O4 254.25
-0.15
anagrelide 68475-42-3 C11H10Cl2N2O 257.12
2.53
piroximone 84490-12-0 C11H11N3O2 217.23
0.74
milrinone 78415-72-2 C12H9N3O 211.22
1.33
zardaverine 101975-10-4 C12H10F2N2O3 268.22
1.11
pelrinone 94386-65-9 C12H11N5O 241.25
0.89
enoximone 77671-31-9 C12H12N2O2S 248.30
3.22
motapizone 90697-57-7 C12H12N4OS 260.32
1.97
imazodan 84243-58-3 C13H12N4O 240.27
1.51
zaprinast 37762-06-4 C13H13N5O2 271.28
1.82
cipamfylline 132210-43-6 C13H17N5O2 275.31
1.97
pentoxyfylline 6493-05-6 C13H18N4O3 278.31
-0.10
olprinone 106730-54-5 C14H10N4O 250.26
1.54
simendan 131741-08-7 C14H12N6O 280.29
1.93
arofylline 136145-07-8 C14H13ClN4O2 304.74
-0.17
sulmazole 73384-60-8 C14H13N3O2S 287.34
1.22
CI-930 86798-59-6 C14H14N4O 254.29
1.57
indolidan 100643-96-7 C14H15N3O2 257.29
2.51
oxagrelate 56611-65-5 C14H16N2O4 276.29
2.08
siguazodan 99591-83-0 C14H16N6O 284.32
0.66
daxalipram 189940-24-7 C14H19NO4 265.31
2.30
etazolate 51022-77-6 C14H19N5O2 289.34
1.88
etazolate hydrochloride 35838-58-5 C14H20ClN5O2 325.80
1.40
meribendan 119322-27-9 C15H14N6O 294.32
1.17
nanterinone 102791-47-9 C15H15N3O 253.30
2.23
milrinone lactate 100286-97-3 C15H15N3O4 301.30
0.21
filaminast; PDA-641 141184-34-1 C15H20N2O4 292.33
2.06
Ro 20-1724 29925-17-5 C15H22N2O3 278.35
1.71
WIN-63291 144967-96-4 C16H11N3O 261.28
1.66
bromoenol lactone 88070-98-8 C16H13BrO2 317.19
3.34
nitraquazone 56739-21-0 C16H13N3O4 311.30
2.37
adibendan 100510-33-6 C16H14N4O 278.31
2.39
rolipram 61413-54-5 C16H21NO3 275.35
2.52
denbufylline 57076-71-8 C16H24N4O3 320.39
-0.13
aminophylline 317-34-0 C16H24N10O4 420.43
-0.17
roflumilast 162401-32-3 C17H14Cl2F2N2O3 403.21
2.97
catramilast 183659-72-5 C17H22N2O3 302.37
2.00
pimobendan 74150-27-9 C18H15ClN4O2 354.80
2.98
piclamilast 144035-83-6 C18H18Cl2N2O3 381.26
3.66
tetomilast 145739-56-6 C19H18N2O4S 370.43
2.01
cilomilast 153259-65-5 C20H25NO4 343.42
3.67
cilostamide 68550-75-4 C20H26N2O3 342.44
2.83
cilostazol 73963-72-1 C20H27N5O2 369.47
1.64
buquineran 59184-78-0 C20H29N5O3 387.48
2.31
alpha-allocryptopine 485-91-6 C21H23NO5 369.42
3.52
cryptopine 482-74-6 C21H23NO5 369.42
3.52
sildenafil 139755-83-2 C22H30N6O4S 474.58
1.07
T-440 155043-84-8 C24H29NO6 427.50
3.21
CDP-840 162542-90-7 C25H27NO2 373.50
3.49
revizinone 133718-29-3 C26H29N5O3 459.55
1.88
saterinone 102669-89-6 C27H30N4O4 474.56
2.90
tolafentrine 139308-65-9 C28H31N3O4S 505.64
1.96
sildenafil citrate; Viagra 171599-83-0 C28H38N6O11S 666.71
0.82
pumafentrine 207993-12-2 C29H39N3O3 477.65
3.67
enniatin 11113-62-5 C33H57N3O9 639.83
0.18


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