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Compound InformationSONAR Target prediction
Name:

5alpha-Androstane-3alpha,17beta-diol

Unique Identifier:LOPAC 00683
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H32O2
Molecular Weight:263.226 g/mol
X log p:0.0579999999999999  (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
Class:Hormone
Action:Metabolite
Selectivity:Androgen
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: SMI1
Replicates: 2
Raw OD Value: r im 0.4372±0.025668
Normalized OD Score: sc h 0.6575±0.050655
Z-Score: -9.4377±2.13395
p-Value: 0.00000000000000110634
Z-Factor: -0.06882
Fitness Defect: 34.4377
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:2|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-11-15 YYYY-MM-DD
Plate CH Control (+):0.038875±0.00156
Plate DMSO Control (-):0.665675±0.04194
Plate Z-Factor:0.8595
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DBLink | Rows returned: 2037[1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [340]
633915 (2,2,6a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicen-4a-yl)metha
nol
633945 [4,4,10,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a
]phenanthren-13-yl]methanol
634098 3,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]
phenanthren-3-ol
634121 2,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopent
a[a]phenanthren-3-ol
634382 6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahyd
ropicen-3-ol
634577 cyclopentylcyclopentane; 1-cyclopentylethanol; iron

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
RJC 03179 1.0000
RJC 03263 1.0000
SB 01465 1.0000
SPE00107093 1.0000
SPE01504056 1.0000
SPE00270078 1.0000

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
Prest1215 0.413793103448276
SPE00107093 0
SPE00107100 0

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