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Compound InformationSONAR Target prediction
Name:

ERGOSTEROL

Unique Identifier:SPE00200743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:9.518  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:yeast
Reference:J Biol Chem 80: 15 (1928)
Generic_name:ERGOSTEROL
Chemical_iupac_name:ERGOSTEROL
Drug_type:Experimental
Kegg_compound_id:C01694
Drugbank_id:EXPT01357
Logp:6.804
Cas_registry_number:57-87-4
Drug_category:Beta-Cryptogein inhibitor
Organisms_affected:-1

Found: 23 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: PDE1
Replicates: 2
Raw OD Value: r im 0.6798±0.0241123
Normalized OD Score: sc h 0.8618±0.0345783
Z-Score: -4.9633±1.06631
p-Value: 0.0000128129
Z-Factor: -0.571505
Fitness Defect: 11.2651
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2006-05-11 YYYY-MM-DD
Plate CH Control (+):0.037575±0.00151
Plate DMSO Control (-):0.7912249999999998±0.02706
Plate Z-Factor:0.8618
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DBLink | Rows returned: 34<< Back 1 2 3 4 5 6 Next >> 
6428692 (3S,10R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclo
penta[a]phenanthren-3-ol
6428696 (3S)-10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]
phenanthren-3-ol
6432563 (3S)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopent
a[a]phenanthren-3-ol
6433143 (3S,9R,10R,13S,17R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahyd
ro-1H-cyclopenta[a]phenanthren-3-ol
6436872 (3S,9S,10S,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
6439697 (3S,9R,10R,13S,14R,17R)-17-[(E,2R)-5-ethyl-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,1
6,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 1
SPE01500276 0.9020

active | Cluster 5085 | Additional Members: 3 | Rows returned: 0

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