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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: DBP3
Replicates: 2
Raw OD Value: r im 0.7068±0.00516188
Normalized OD Score: sc h 0.9940±0.00320758
Z-Score: -0.3128±0.177976
p-Value: 0.7563
Z-Factor: -17.8531
Fitness Defect: 0.2793
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2007-09-13 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00063
Plate DMSO Control (-):0.700075±0.12505
Plate Z-Factor:0.4080
png
ps
pdf

DBLink | Rows returned: 3127[1] << Back 401 402 403 404 405 406 407 408 409 410  Next >> [522]
6097127 aluminum(+3) cation; ethane; octane
6098362 decane; magnesium(+2) cation; bromide
6098992 magnesium(+2) cation; pentadecane; bromide
6099940 dodecane; magnesium(+2) cation; bromide
6100703 aluminum(+2) monohydride cation; octane
6101627 magnesium(+2) cation; octane; bromide

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