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

Compound InformationSONAR Target prediction
Name:

MEGESTROL ACETATE

Unique Identifier:SPE01500381
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.254 g/mol
X log p:3.249  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O
Source:semisynthetic
Therapeutics:progestogen, antineoplastic

Found: 65 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [65]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.5736±0.0960958
Normalized OD Score: sc h 0.8040±0.0827526
Z-Score: -4.7272±1.25346
p-Value: 0.000061304
Z-Factor: -0.99424
Fitness Defect: 9.6997
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.038599999999999995±0.00113
Plate DMSO Control (-):0.664525±0.03525
Plate Z-Factor:0.8408
png
ps
pdf

DBLink | Rows returned: 162 3 Next >> 
4048 (17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
11683 [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate
91668 [(8R,9R,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]p
henanthren-17-yl] acetate
200136 [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate
626483 (17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate
3839280 (17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5652 | Additional Members: 7 | Rows returned: 5
Prest1168 0.526315789473684
SPE01505327 0.452054794520548
SPE01503921 0.303030303030303
LOPAC 00767 0
SPE01500216 0

Service provided by the Mike Tyers Laboratory