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Compound InformationSONAR Target prediction
Name:

2-(4,4-dimethylcyclohexyl)propan-2-ol

Unique Identifier:NRB 02318
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H22O
Molecular Weight:148.117 g/mol
X log p:-0.528  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:1
Canonical Smiles:CC(C)(O)C1CCC(C)(C)CC1
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.6354±0.00643467
Normalized OD Score: sc h 0.8382±0.0241815
Z-Score: -9.8086±1.09272
p-Value: 8.13258e-20
Z-Factor: 0.230419
Fitness Defect: 43.9558
Bioactivity Statement: Active
Experimental Conditions
Library:Maybridge1000
Plate Number and Position:8|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-08-22 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00272
Plate DMSO Control (-):0.74005±0.01428
Plate Z-Factor:0.9201
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
12121995 (1S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol
13109021 (2S,4S)-2,4,6-trimethylheptan-1-ol
14512388 barium(+2) cation; 2-ethylhexan-1-olate
15559396 (3S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
15605903 (1S,2S,4R)-4-methyl-2-propan-2-yl-cyclohexan-1-ol
15939348 [(1S,5S,7R)-7-bicyclo[3.2.0]heptyl]methanol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
SPE00307059 1.0000
SPE01504053 1.0000
SPE00270078 1.0000
NRB 02140 1.0000
NRB 01891 1.0000
BTB 12891 1.0000

active | Cluster 1300 | Additional Members: 1 | Rows returned: 0

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