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

Compound InformationSONAR Target prediction
Name:

ESTRADIOL PROPIONATE

Unique Identifier:SPE01501179
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:7.127  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C
Source:semisynthetic
Therapeutics:estrogen

Found: 464 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [464]
Species: 4932
Condition: pdr1pdr3-24h
Replicates: 2
Raw OD Value: r im 0.7622±0
Normalized OD Score: sc h 1.0043±0
Z-Score: 0.0992±0
p-Value: 0.920972
Z-Factor: -9.80949
Fitness Defect: 0.0823
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.0409±0.00246
Plate DMSO Control (-):0.7486±0.02399
Plate Z-Factor:0.8872
png
ps
pdf

DBLink | Rows returned: 3
3266 (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
19571 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] propanoate
6710670 [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]
propanoate

internal high similarity DBLink | Rows returned: 3
SPE01500283 0.9659
SPE01501184 0.9765
SPE01500284 0.9770

active | Cluster 13982 | Additional Members: 12 | Rows returned: 3
SPE01500284 0.394736842105263
SPE01501184 0.318181818181818
SPE01500282 0

Service provided by the Mike Tyers Laboratory