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Compound InformationSONAR Target prediction
Name:

CLEMASTINE

Unique Identifier:SPE01500191
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:429.724 g/mol
X log p:18.96  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.OC(=O)C=CC(O)=O
Source:synthetic
Therapeutics:antihistaminic

Found: 276 active | as graph: single | with analogs [1] << Back 241 242 243 244 245 246 247 248 249 250  Next >> [276]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.4254±0.017607
Normalized OD Score: sc h 0.6203±0.0152498
Z-Score: -16.3884±0.621749
p-Value: 0
Z-Factor: 0.636042
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.04177500000000001±0.00036
Plate DMSO Control (-):0.665775±0.01999
Plate Z-Factor:0.8528
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DBLink | Rows returned: 3
26986 but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
5281069 but-2-enedioic acid; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine
6426695 (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-2,3,4,5-tetrahydropyrrole;
(E)-4-hydroxy-4-oxo-but-2-enoate

internal high similarity DBLink | Rows returned: 1
LOPAC 00805 1.0000

nonactive | Cluster 7676 | Additional Members: 4 | Rows returned: 3
LAT002E10 0
LOPAC 00805 0
Prest680 0

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