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Compound Information
SONAR Target prediction
Name:
METHYL DEOXYCHOLATE
Unique Identifier:
SPE00270051
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
364.265 g/mol
X log p:
-0.0670000000000001
(online calculus)
Lipinksi Failures
0
TPSA
26.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
4
Rotatable Bond Count:
5
Canonical Smiles:
COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Class:
sterol
Source:
rabbit bile & feces
Reference:
Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963)
Generic_name:
METHYL NONANOATE (ESTER)
Chemical_iupac_name:
METHYL NONANOATE (ESTER)
Drug_type:
Experimental
Drugbank_id:
EXPT02376
Drug_category:
Neutrophil Gelatinase inhibitor
Organisms_affected:
-1
Found: 41
active
| as graph:
single
|
with analogs
[1]
<< Back
11
12
13
14
15
16
17
18
19
20
Next >>
[41]
Species:
4932
Condition:
SMI1
Replicates:
2
Raw OD Value:
r
im
0.4133±0.0657609
Normalized OD Score:
sc
h
0.7091±0.0953479
Z-Score:
-6.0496±1.48958
p-Value:
0.0000002922
Z-Factor:
-0.230984
Fitness Defect:
15.0458
Bioactivity Statement:
Active
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
6|C11
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
26.30 Celcius
Date:
2005-12-20 YYYY-MM-DD
Plate CH Control (+):
0.0388±0.00131
Plate DMSO Control (-):
0.5943499999999999±0.01470
Plate Z-Factor:
0.8925
png
ps
pdf
DBLink | Rows returned: 709
[1]
<< Back
21
22
23
24
25
26
27
28
29
30
Next >>
[119]
288208
methyl 4-cyclohexyl-2-(cyclohexylmethyl)butanoate
288348
n/a
288349
n/a
288385
methyl
7-ethyl-8-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
289889
n/a
292508
methyl 14-oxoicosanoate
internal high similarity DBLink | Rows returned: 7
1
2
Next >>
RJC 03996
0.9091
SPE01504910
0.9091
SB 01788
0.9677
SPE01500904
0.9677
BTB 15024
1.0000
FM 00119
1.0000
active
| Cluster 2228 | Additional Members: 18 | Rows returned: 6
SPE01500835
0.309859154929578
SPE01500605
0.3
SPE01500837
0.3
Prest256
0.3
SPE01500906
0
Prest88
0
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Mike Tyers Laboratory