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

Compound InformationSONAR Target prediction
Name:

FRIEDELIN

Unique Identifier:SPE00100551
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:376.32 g/mol
X log p:1.503  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C
Class:triterpene
Source:Ceratopetalum apetalum D. Don, Cunoniaceae
Reference:J Chem Soc 1954: 473
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: FUR4
Replicates: 2
Raw OD Value: r im 0.3126±0.0227688
Normalized OD Score: sc h 0.7126±0.0317196
Z-Score: -7.5312±0.518778
p-Value: 0.000000000000392168
Z-Factor: 0.382484
Fitness Defect: 28.5671
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00158
Plate DMSO Control (-):0.44085±0.01258
Plate Z-Factor:0.9060
png
ps
pdf

DBLink | Rows returned: 1448[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [242]
28965 5-methylheptan-2-one
29251 hexadecan-2-one
29381 2-methyldecanal
29561 3,3-dimethyl-1,5-ditert-butyl-bicyclo[3.1.0]hexan-4-one
29771 dodecan-5-one
29776 henicosan-11-one

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 183 | Additional Members: 2 | Rows returned: 0
Service provided by the Mike Tyers Laboratory