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Compound InformationSONAR Target prediction
Name:

RAMELTEON

Unique Identifier:SPE01505817
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H21NO2
Molecular Weight:238.177 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC(=O)NCCC1CCc2ccc3OCCc3c12
Source:synthetic; TAK-375; M-II
Therapeutics:melatonin receptor agonist

Found: 103 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [103]
Species: 4932
Condition: CHS7
Replicates: 2
Raw OD Value: r im 0.5357±0.0144957
Normalized OD Score: sc h 0.9892±0.0216807
Z-Score: -0.3191±0.667851
p-Value: 0.653516
Z-Factor: -25.7201
Fitness Defect: 0.4254
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-02-21 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00031
Plate DMSO Control (-):0.544025±0.01473
Plate Z-Factor:0.9003
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3341 | Additional Members: 1 | Rows returned: 0
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