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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9800±0.00183848
Normalized OD Score: sc h 0.9728±0.0053532
Z-Score: 0.4906±0.196913
p-Value: 0.627038
Z-Factor: -2.01135
Fitness Defect: 0.4667
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|G6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0014750000000000002±0.00465
Plate DMSO Control (-):0.995525±0.02638
Plate Z-Factor:0.8881
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DBLink | Rows returned: 1448[1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [242]
2794921 (1R)-1,3,3-trimethylnorbornan-2-one
2825509 n/a
2825567 (5S,10S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr
en-3-one
3000521 nonanal hydrate
3001200 (4R,4aR,6aS,6bR,8aR,14aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetrad
ecahydro-1H-picen-3-one
3012234 n/a

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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