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

Compound InformationSONAR Target prediction
Name:

CHOLESTANE

Unique Identifier:SPE00300015
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:325.297 g/mol
X log p:2.314  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:0
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Source:semisynthetic
Generic_name:ADAMANTANE
Chemical_iupac_name:ADAMANTANE
Drug_type:Experimental
Drugbank_id:EXPT00433
Logp:2.69
Drug_category:Cytochrome P450Cam inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BNI1
Replicates: 2
Raw OD Value: r im 0.6873±0.00311127
Normalized OD Score: sc h 0.9932±0.000541437
Z-Score: -0.3341±0.0372517
p-Value: 0.73841
Z-Factor: -19.6565
Fitness Defect: 0.3033
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2007-09-14 YYYY-MM-DD
Plate CH Control (+):0.042325±0.00084
Plate DMSO Control (-):0.6793750000000001±0.12060
Plate Z-Factor:0.4086
png
ps
pdf

DBLink | Rows returned: 3127[1] << Back 291 292 293 294 295 296 297 298 299 300  Next >> [522]
549983 1,3-dimethyl-5-(2-methylpropyl)cyclohexane
550133 1-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]nonane
550139 1-methyl-3-propyl-cyclooctane
550142 1-butyl-2-pentyl-cyclopentane
550204 1-cyclopentyl-4-propan-2-yl-cyclohexane
550310 1,4-dimethyl-2-(2-methylpropyl)cyclohexane

internal high similarity DBLink | Rows returned: 0

active | Cluster 2228 | Additional Members: 18 | Rows returned: 71 2 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

Service provided by the Mike Tyers Laboratory