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Compound InformationSONAR Target prediction
Name:

5alpha-ANDROSTAN-3,17-DIONE

Unique Identifier:SPE00107108
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:261.21 g/mol
X log p:-0.364  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2=O
Class:sterol
Source:human urine & adrenal cortex
Therapeutics:androgen
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: 63 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [63]
Species: 4932
Condition: RSA3
Replicates: 2
Raw OD Value: r im 0.5352±0.036911
Normalized OD Score: sc h 0.7957±0.0253753
Z-Score: -8.7561±1.03864
p-Value: 5.21662e-16
Z-Factor: 0.184731
Fitness Defect: 35.1895
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00141
Plate DMSO Control (-):0.675825±0.02015
Plate Z-Factor:0.8789
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DBLink | Rows returned: 1448[1] << Back 231 232 233 234 235 236 237 238 239 240  Next >> [242]
11650011 n/a
11976998 (3R)-3-tert-butylcyclopentan-1-one
12002600 (3R)-3-methylcyclotridecan-1-one
12130588 (1R,4S,5S)-5,6,6-trimethylbicyclo[2.2.1]heptan-3-one
12224428 dispiro[5.1.5^{8}.1^{6}]tetradecan-14-one
12266719 (3R)-3,7-dimethyloctanal

internal high similarity DBLink | Rows returned: 171 2 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 11774 | Additional Members: 14 | Rows returned: 5
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
LOPAC 00697 0

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