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Compound Information
SONAR Target prediction
Name:
CHOL-11-ENIC ACID
Unique Identifier:
SPE01500856
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C24H36O3
Molecular Weight:
337.263 g/mol
X log p:
4.247
(online calculus)
Lipinksi Failures
0
TPSA
34.14
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
3
Rotatable Bond Count:
4
Canonical Smiles:
CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C
Generic_name:
OLEIC ACID
Chemical_iupac_name:
OLEIC ACID
Drug_type:
Experimental
Kegg_compound_id:
C00712
Drugbank_id:
EXPT02430
Logp:
6.036
Cas_registry_number:
112-80-1
Drug_category:
Serum Albumin inhibitor
Organisms_affected:
-1
Found: 110
nonactive
| as graph:
single
|
with analogs
1
2
3
4
5
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7
8
9
10
Next >>
[110]
Species:
4932
Condition:
APC9
Replicates:
2
Raw OD Value:
r
im
0.7219±0.00459619
Normalized OD Score:
sc
h
1.0310±0.000565933
Z-Score:
1.6858±0.0561622
p-Value:
0.092092
Z-Factor:
-1.89692
Fitness Defect:
2.385
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
8|E4
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
23.00 Celcius
Date:
2007-11-22 YYYY-MM-DD
Plate CH Control (+):
0.041675000000000004±0.00068
Plate DMSO Control (-):
0.6857500000000001±0.02249
Plate Z-Factor:
0.8773
png
ps
pdf
DBLink | Rows returned: 282
[1]
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[47]
5312438
(E)-heptadec-8-enoic acid
5312439
(E)-heptadec-8-enoic acid
5312440
(E)-heptadec-9-enoic acid
5312441
(E)-octadec-13-enoic acid
5312442
(E)-octadec-15-enoic acid
5312512
(E)-nonadec-10-enoic acid
internal high similarity DBLink | Rows returned: 5
SPE00100550
0.9091
SPE01800031
0.9091
BTBG 00247
0.9524
LOPAC 01105
1.0000
SPE00310016
1.0000
active
| Cluster 15990 | Additional Members: 2 | Rows returned: 1
SPE01500848
0.325
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