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Compound InformationSONAR Target prediction
Name:

CAMPHOR (1R)

Unique Identifier:SPE01500156
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:136.106 g/mol
X log p:-0.875  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC1(C)C2CCC1(C)C(=O)C2
Class:terpene
Source:Cinnamomum camphora
Therapeutics:analgesic, antiinfective, antipruritic
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [205]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.6312±0.0161927
Normalized OD Score: sc h 1.0122±0.0211339
Z-Score: 0.3435±0.584039
p-Value: 0.696988
Z-Factor: -6.89433
Fitness Defect: 0.361
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-23 YYYY-MM-DD
Plate CH Control (+):0.039075±0.00117
Plate DMSO Control (-):0.618675±0.01681
Plate Z-Factor:0.8971
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DBLink | Rows returned: 1448[1] << Back 211 212 213 214 215 216 217 218 219 220  Next >> [242]
6992617 (2R)-2-[(2S)-butan-2-yl]cyclohexan-1-one
6992618 (2S)-2-[(2R)-butan-2-yl]cyclohexan-1-one
6992619 (2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
6992946 (6S)-2,2,6-trimethylcyclohexan-1-one
6993364 (1R,4R,6S)-5,5,6-trimethylnorbornan-2-one
6993378 (1S,5R)-bicyclo[3.2.1]octan-4-one

internal high similarity DBLink | Rows returned: 172 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 10613 | Additional Members: 2 | Rows returned: 0

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