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

Compound InformationSONAR Target prediction
Name:

KETOTIFEN FUMARATE

Unique Identifier:SPE01500668
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:402.316 g/mol
X log p:12.903  (online calculus)
Lipinksi Failures1
TPSA45.61
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CN1CCC(CC1)=C1c2ccccc2CC(=O)c2sccc21.OC(=O)C=CC(O)=O
Source:synthetic
Therapeutics:antiasthmatic

Found: 205 nonactive as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [205]
Species: 4932
Condition: RPA49
Replicates: 2
Raw OD Value: r im 0.4728±0.0123037
Normalized OD Score: sc h 0.9835±0.0302905
Z-Score: -0.6046±1.08782
p-Value: 0.519376
Z-Factor: -9.1809
Fitness Defect: 0.6551
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-12-13 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00088
Plate DMSO Control (-):0.45010000000000006±0.04140
Plate Z-Factor:0.6734
png
ps
pdf

DBLink | Rows returned: 2
36856
5282408

internal high similarity DBLink | Rows returned: 1
LOPAC 00997 1.0000

active | Cluster 4311 | Additional Members: 10 | Rows returned: 2
SPE01501114 0.571428571428571
SPE01505003 0.46875

Service provided by the Mike Tyers Laboratory