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Compound InformationSONAR Target prediction
Name:

EPIANDROSTANEDIOL

Unique Identifier:SPE00107093
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H32O2
Molecular Weight:261.21 g/mol
X log p:-0.0960000000000001  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O
Source:ex numerous mammalian tissues
Therapeutics:regulation of puberty in females
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: 22 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.4801±0.00282843
Normalized OD Score: sc h 0.7213±0.000999504
Z-Score: -5.4479±0.115872
p-Value: 0.0000000562834
Z-Factor: 0.632361
Fitness Defect: 16.6929
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038675±0.00123
Plate DMSO Control (-):0.6602250000000001±0.02150
Plate Z-Factor:0.9014
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DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
7829989 (5R,8S,9S,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-16-ol
10975445 (1R,4S,6S)-bicyclo[2.2.1]heptan-6-ol
10975454 (1S)-2-methylcyclohexan-1-ol
11075068 2-[(1R,4R,4aS,7S,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
11076083 (2S,3S)-3,7-dimethylpentadecan-2-ol
11475087 n/a

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 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
Prest1215 0.413793103448276
LOPAC 00683 0
SPE00107100 0

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