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Compound InformationSONAR Target prediction
Name:

LATHOSTEROL

Unique Identifier:SPE01500843
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:341.296 g/mol
X log p:3.679  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:Austeria rubens
Reference:J Biol Chem 248: 6697 (1973)
Generic_name:LANOSTEROL
Chemical_iupac_name:LANOSTEROL
Drug_type:Experimental
Kegg_compound_id:C01724
Drugbank_id:EXPT02002
Logp:7.63
Cas_registry_number:79-63-0
Drug_category:Lanosterol Synthase inhibitor
Organisms_affected:-1

Found: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.3965±0.00622254
Normalized OD Score: sc h 0.8229±0.0199773
Z-Score: -4.6220±0.459677
p-Value: 0.00000903334
Z-Factor: 0.0289704
Fitness Defect: 11.6146
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00027
Plate DMSO Control (-):0.4675±0.01743
Plate Z-Factor:0.8726
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DBLink | Rows returned: 277[1] << Back 41 42 43 44 45 46 47
16061334 (3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 111 2 Next >> 
SPE01504073 0.9167
SPE01504051 0.9189
SPE01500847 0.9189
SPE00107022 0.9189
SPE00300055 0.9444
NRB 03722 0.9706

active | Cluster 14237 | Additional Members: 2 | Rows returned: 0
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