Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: 351 nonactive | as graph: single | with analogs [1] << Back 331 332 333 334 335 336 337 338 339 340  Next >> [351]
Species: 4932
Condition: SPO22
Replicates: 2
Raw OD Value: r im 0.3339±0.0221324
Normalized OD Score: sc h 0.9042±0.0111594
Z-Score: -1.1739±0.120525
p-Value: 0.242138
Z-Factor: -1.74306
Fitness Defect: 1.4182
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-05-12 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00197
Plate DMSO Control (-):0.339225±0.02568
Plate Z-Factor:0.7623
png
ps
pdf

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

active | Cluster 7676 | Additional Members: 4 | Rows returned: 2
LAT002E10 0
LOPAC 00805 0

Service provided by the Mike Tyers Laboratory