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Compound InformationSONAR Target prediction
Name:

5alpha-ANDROSTAN-3beta,17beta-DIOL

Unique Identifier:SPE00107100
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:testosterone metabolite
Reference:J Org Chem 26: 2043 (1961); J Med Chem 9: 924 (1966)
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: 8 active | as graph: single | with analogs 2 3 4 5 6 7 8 Next >> 
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.5995±0.0216375
Normalized OD Score: sc h 0.8950±0.0183461
Z-Score: -4.6130±0.628742
p-Value: 0.0000155509
Z-Factor: -191.394
Fitness Defect: 11.0714
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00041
Plate DMSO Control (-):0.653375±0.19507
Plate Z-Factor:-0.0743
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DBLink | Rows returned: 20372 3 4 5 6 7 8 9 10  Next >> [340]
957 octan-1-ol
1107 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
1213 4,8a-dimethyldecalin-4a-ol
1254 5-methyl-2-propan-2-yl-cyclohexan-1-ol
2682 hexadecan-1-ol
3240 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a
]phenanthren-3-ol

internal high similarity DBLink | Rows returned: 382 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

active | Cluster 12674 | Additional Members: 6 | Rows returned: 4
NRB 03720 0.416666666666667
Prest1215 0.413793103448276
SPE00107093 0
LOPAC 00683 0

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