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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 [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
Species: 4932
Condition: NBP2
Replicates: 2
Raw OD Value: r im 0.5045±0.00890955
Normalized OD Score: sc h 0.6278±0.0163698
Z-Score: -9.3361±1.95641
p-Value: 9.12106e-16
Z-Factor: 0.614384
Fitness Defect: 34.6308
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2006-02-17 YYYY-MM-DD
Plate CH Control (+):0.0381±0.00123
Plate DMSO Control (-):0.735625±0.02385
Plate Z-Factor:0.8847
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DBLink | Rows returned: 2037[1] << Back 321 322 323 324 325 326 327 328 329 330  Next >> [340]
7343483 (1S,3R,4S)-3,4-dimethylcyclohexan-1-ol
7343484 (1R,3R,4R)-3,4-dimethylcyclohexan-1-ol
7350657 (3S)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]hexan-3-ol
7350660 (3R)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]hexan-3-ol
7352900 n/a
7352905 n/a

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
LOPAC 00683 0
SPE00107100 0

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