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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 91 92 93 94 95 96
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.7865±0.0137886
Normalized OD Score: sc h 0.7874±0.014192
Z-Score: -5.1564±0.656697
p-Value: 0.00000136224
Z-Factor: 0.547529
Fitness Defect: 13.5064
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|D4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0013750000000000001±0.00233
Plate DMSO Control (-):1.0037±0.01740
Plate Z-Factor:0.9488
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 5481 | Additional Members: 8 | Rows returned: 5
LOPAC 00975 0.36734693877551
SPE01500223 0.172043010752688
Prest791 0.172043010752688
SPE01505708 0
Prest188 0

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