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Compound InformationSONAR Target prediction
Name:

Benztropine mesylate

Unique Identifier:LOPAC 00174
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H29NO4S
Molecular Weight:374.306 g/mol
X log p:20.956  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.CS(O)(=O)=O
Class:Cholinergic
Action:Antagonist
Selectivity:Muscarinic

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7310±0.104935
Normalized OD Score: sc h 1.0351±0.00666152
Z-Score: 1.3328±0.268168
p-Value: 0.190424
Z-Factor: -1.819
Fitness Defect: 1.6585
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.043225±0.00193
Plate DMSO Control (-):0.632425±0.01870
Plate Z-Factor:0.9205
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DBLink | Rows returned: 71 2 Next >> 
8584 (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
197961 3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
238053 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
441352 (1R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
3246155 (1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
5351770 3-benzhydryloxy-8-methyl-8-azoniabicyclo[3.2.1]octane; methanesulfonate

internal high similarity DBLink | Rows returned: 1
SPE01500142 0.9583

active | Cluster 2609 | Additional Members: 7 | Rows returned: 2
LOPAC 00255 0.170212765957447
SPE01500142 0

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