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Compound InformationSONAR Target prediction
Name:

LANOSTEROL

Unique Identifier:SPE00240470
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C30H50O
Molecular Weight:376.32 g/mol
X log p:2.412  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C=3CCC12C
Source:ex wool fat of sheep
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: 3 active | as graph: single | with analogs 2 3 Next >> 
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.6139±0.0236174
Normalized OD Score: sc h 0.8747±0.0154993
Z-Score: -6.5180±1.0459
p-Value: 0.00000000377038
Z-Factor: -4.80182
Fitness Defect: 19.3961
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00048
Plate DMSO Control (-):0.6933499999999999±0.11428
Plate Z-Factor:0.4428
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DBLink | Rows returned: 277[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [47]
193515 (3S,4S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,1
5,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
193524 (3S,4S,5S,10S,13S,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11
,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
193751 (3R,5S,8S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-ol
194497 (3S,10S,13R,14R,17R)-17-[(2R)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1
H-cyclopenta[a]phenanthren-3-ol
194681 10,13-dimethyl-17-[1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthren-3-ol
195723 n/a

internal high similarity DBLink | Rows returned: 112 Next >> 
SPE01504073 0.9167
SPE01504051 0.9189
SPE01500847 0.9189
SPE00107022 0.9189
SPE00300055 0.9444
NRB 03722 0.9706

nonactive | Cluster 1278 | Additional Members: 6 | Rows returned: 4
SPE00201696 0.253012048192771
SPE00100583 0.253012048192771
SPE00240449 0.243589743589744
SPE00201697 0

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