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Compound Information
SONAR Target prediction
Name:
DEHYDROEPIANDROSTERONE
Unique Identifier:
SPE00100582
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
260.202 g/mol
X log p:
0.92
(online calculus)
Lipinksi Failures
0
TPSA
17.07
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
2
Rotatable Bond Count:
0
Canonical Smiles:
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
Source:
semisynthetic
Reference:
Helv Chim Acta 18: 61 (1935)
Generic_name:
3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Chemical_iupac_name:
3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Drug_type:
Experimental
Drugbank_id:
EXPT00519
Logp:
3.73
Drug_category:
Isomerase inhibitor
Organisms_affected:
-1
Found: 85
active
| as graph:
single
|
with analogs
[1]
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[85]
Species:
4932
Condition:
KRE1
Replicates:
2
Raw OD Value:
r
im
0.7486±0.0193747
Normalized OD Score:
sc
h
0.9242±0.0137405
Z-Score:
-4.1254±0.678386
p-Value:
0.000135369
Z-Factor:
0.00848704
Fitness Defect:
8.9075
Bioactivity Statement:
Active
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
2|D6
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.10 Celcius
Date:
2006-01-31 YYYY-MM-DD
Plate CH Control (+):
0.038125±0.00083
Plate DMSO Control (-):
0.7942499999999999±0.00846
Plate Z-Factor:
0.9670
png
ps
pdf
DBLink | Rows returned: 103
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11875467
1-[(3S,8S,9S,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone
internal high similarity DBLink | Rows returned: 3
JFD 01755
1.0000
NRB 04201
1.0000
SPE01500645
1.0000
active
| Cluster 10893 | Additional Members: 6 | Rows returned: 1
JFD 01755
0.453333333333333
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