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Compound InformationSONAR Target prediction
Name:

DOXORUBICIN

Unique Identifier:SPE01505483
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H29NO11
Molecular Weight:514.289 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)C(=
O)CO
Source:semisynthetic
Therapeutics:antineoplastic

Found: 96 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [96]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.5209±0.0359917
Normalized OD Score: sc h 0.7316±0.0416355
Z-Score: -13.4358±1.83134
p-Value: 3.20898e-34
Z-Factor: 0.263018
Fitness Defect: 77.1219
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.80 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.04155±0.00078
Plate DMSO Control (-):0.6962250000000001±0.01634
Plate Z-Factor:0.9133
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5481 | Additional Members: 8 | Rows returned: 2
SPE01500223 0.172043010752688
SPE01505708 0

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