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

Compound InformationSONAR Target prediction
Name:

ANDROSTERONE ACETATE

Unique Identifier:SPE00107113
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:301.231 g/mol
X log p:-0.0390000000000001  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1
Source:semisynthetic
Therapeutics:androgen

Found: 23 active | as graph: single | with analogs [1] << Back 21 22 23
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.2619±0.00777817
Normalized OD Score: sc h 0.7254±0.0147733
Z-Score: -7.6809±0.423194
p-Value: 0.0000000000000788728
Z-Factor: 0.610461
Fitness Defect: 30.1709
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.0414±0.00114
Plate DMSO Control (-):0.35037500000000005±0.02538
Plate Z-Factor:0.7371
png
ps
pdf

DBLink | Rows returned: 291[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [49]
196290 [(3R,4aS,6aR,6aR,6bR,8aR,9R,12aR,14aS,14bS)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,
12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate
222098 tert-butyl 12-acetyloxyoctadecanoate
222827 [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-17-[(2R)-4-oxobutan-2-yl]-2,3,4,5,6,7,8,9,
11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
224447 [(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthren-17-yl] acetate
227113 [(3S,5S,8R,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-yl] acetate
242132 [(5S,8R,9S,10S,13S,14S,17S)-13-methyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 102 Next >> 
NRB 01759 0.9231
NRB 01694 0.9444
BTB 14978 0.9474
BTBG 00067 0.9474
NRB 02502 0.9730
NRB 03739 0.9730

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
LOPAC 00697 0

Service provided by the Mike Tyers Laboratory