Antiparkinsonian compounds [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
lazabemide 103878-84-8 C8H10ClN3O 199.64
-0.37
droxidopa 23651-95-8 C9H11NO5 213.19
-2.74
benserazide 322-35-0 C10H15N3O5 257.25
1.30
pramipexole 104632-26-0 C10H17N3S 211.33
0.52
diprobutine 61822-36-4 C10H23N 157.30
2.82
mofegiline 119386-96-8 C11H13F2N 197.23
1.49
sumanirole 179386-43-7 C11H13N3O 203.24
1.31
etilevodopa 37178-37-3 C11H15NO4 225.24
-0.61
rasagiline 136236-51-6 C12H13N 171.24
2.53
altinicline; (-)-5-ethynylnicotine 179120-92-4 C12H14N2 186.26
1.08
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine 28289-54-5 C12H15N 173.26
3.13
pardoprunox 269718-84-5 C12H15N3O2 233.27
2.40
selegiline (R); Deprenyl (L) 14611-51-9 C13H17N 187.29
2.30
selegiline hydrochloride (R); Deprenyl 14611-52-0 C13H18ClN 223.75
1.29
nebicapone 274925-86-9 C14H11NO5 273.24
2.17
tolcapone; Ro 40-7592 134308-13-7 C14H11NO5 273.24
2.11
fipamezole 150586-58-6 C14H15FN2 230.29
1.99
carmantadine 38081-67-3 C14H21NO2 235.33
5.20
piribedil 3605-01-4 C16H18N4O2 298.35
1.51
brasofensine 171655-91-7 C16H20Cl2N2O 327.25
3.09
ropinirole; SKF-101468 91374-21-9 C16H24N2O 260.38
2.14
ropinirole hydrochloride 91374-20-8 C16H25ClN2O 296.84
2.11
tofenacin 15301-93-6 C17H21NO 255.36
3.66
minaprine 25905-77-5 C17H22N4O 298.39
1.35
tesofensine 195875-84-4 C17H23Cl2NO 328.28
4.40
diethazine 60-91-3 C18H22N2S 298.45
4.69
orphenadrine 83-98-7 C18H23NO 269.39
3.97
orphenadrine hydrochloride 341-69-5 C18H24ClNO 305.85
3.26
mesulergine 64795-35-3 C18H26N4O2S 362.50
2.13
depramine 303-54-8 C19H22N2 278.40
4.61
profenamine; isothazine; isothiazine 522-00-9 C19H24N2S 312.48
4.77
dopamantine 39907-68-1 C19H25NO3 315.41
2.22
pergolide 66104-22-1 C19H26N2S 314.49
4.02
metixene; methixene 4969-02-2 C20H23NS 309.47
4.25
istradefylline 155270-99-8 C20H24N4O4 384.44
-0.11
prodipine 31314-38-2 C20H25N 279.43
3.93
pridinol 511-45-5 C20H25NO 295.43
3.69
lisuride 18016-80-3 C20H26N4O 338.45
2.95
pergolide mesylate 66104-23-2 C20H30N2S2 410.60
3.61
trihexyphenidyl 144-11-6 C20H31NO 301.47
7.64
trihexyphenidyl hydrochoride 52-49-3 C20H32ClNO 337.93
4.20
hexocyclium methylsulfate 115-63-9 C20H34N2O5S 414.56
1.42
ciladopa 80109-27-9 C21H26N2O4 370.45
1.34
budipine 57982-78-2 C21H27N 293.45
3.93
bornaprine 20448-86-6 C21H31NO2 329.48
6.03
tropatepine 27574-24-9 C22H23NS 333.50
2.96
lorajmine 47562-08-3 C22H27ClN2O3 402.92
1.68
benztropine mesylate 132-17-2 C22H29NO4S 403.54
3.48
cinepazide 23887-46-9 C22H31N3O5 417.51
2.75
dexetimide 21888-98-2 C23H26N2O2 362.47
3.89
lisuride hydrogenmaleate 19875-60-6 C24H30N4O5 338.45
2.00
propiverine; mictonorm 60569-19-9 C24H31NO2 365.52
3.93
bromocriptin; bromocriptine 25614-03-3 C32H40BrN5O5 654.61
-1.28


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