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

Compound InformationSONAR Target prediction
Name:

PREGNENOLONE

Unique Identifier:SPE01500645
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:284.224 g/mol
X log p:1.745  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Source:semisynthetic
Therapeutics:glucocortcoid, antiinflammatory
Generic_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Chemical_iupac_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Drug_type:Experimental
Drugbank_id:EXPT00519
Logp:3.73
Drug_category:Isomerase inhibitor
Organisms_affected:-1

Found: 30 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [30]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6054±0.0118794
Normalized OD Score: sc h 0.8971±0.00360262
Z-Score: -5.4059±0.145832
p-Value: 0.0000000750702
Z-Factor: 0.408973
Fitness Defect: 16.4048
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00073
Plate DMSO Control (-):0.651875±0.01117
Plate Z-Factor:0.9462
png
ps
pdf

DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
6572708 (3S,8S,9S,10S,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one
6572717 1-[(3R,8S,9R,10S,13R,14S,16S,17R)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone
6595000 n/a
6603817 (3S,8R,9R,10R,13S,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one
6604233 1-[(3S,8R,9S,10R,13R,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone
6926983 (3R,8S,9S,10R,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one

internal high similarity DBLink | Rows returned: 3
JFD 01755 1.0000
NRB 04201 1.0000
SPE00100582 1.0000

active | Cluster 7902 | Additional Members: 9 | Rows returned: 3
SPE01505123 0.435897435897436
SPE00270029 0.405797101449275
SPE01505713 0.205882352941177

Service provided by the Mike Tyers Laboratory