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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 41 42 43 44 45 46 47 48 49 50  Next >> [276]
Species: 4932
Condition: pdr1pdr3-21h
Replicates: 2
Raw OD Value: r im 0.0459±0
Normalized OD Score: sc h 0.0666±0
Z-Score: -12.9373±0
p-Value: 2.77302e-38
Z-Factor: 0.841495
Fitness Defect: 86.4783
Bioactivity Statement: Toxic
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|G8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04145±0.00111
Plate DMSO Control (-):0.73565±0.03585
Plate Z-Factor:0.8383
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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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