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Compound Information
SONAR Target prediction
Name:
Glycocholic acid
Unique Identifier:
Prest768
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C26H43NO6
Molecular Weight:
426.313 g/mol
X log p:
-1.652
(online calculus)
Lipinksi Failures
0
TPSA
34.14
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
7
Rotatable Bond Count:
7
Canonical Smiles:
CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Generic_name:
GLYCOCHENODEOXYCHOLIC ACID
Chemical_iupac_name:
GLYCOCHENODEOXYCHOLIC ACID
Drug_type:
Experimental
Drugbank_id:
EXPT00909
Logp:
3.7
Drug_category:
7 Alpha-Hydroxysteroid Dehydrogenase inhibitor
Organisms_affected:
-1
Found: 3 nonactive as graph:
single
|
with analogs
1
2
3
Next >>
Species:
9606
Condition:
TMPPre001
Replicates:
2
Raw OD Value:
r
im
2152.0000±0
Normalized OD Score:
sc
h
1.0451±0
Z-Score:
1.0156±0
p-Value:
0.309836
Z-Factor:
-4.31859
Fitness Defect:
1.1717
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Prestwick
Plate Number and Position:
7|E2
Drug Concentration:
50.00 nM
OD Absorbance:
0 nm
Robot Temperature:
24.10 Celcius
Date:
2006-10-10 YYYY-MM-DD
Plate CH Control (+):
951.5±923.27222
Plate DMSO Control (-):
2006±543.99595
Plate Z-Factor:
-4.4324
png
ps
pdf
DBLink | Rows returned: 25
<< Back
1
2
3
4
5
6604253
2-[[(4R)-4-[(3S,5R,7S,8R,9R,10R,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,
14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
internal high similarity DBLink | Rows returned: 0
nonactive
| Cluster 10691 | Additional Members: 8 | Rows returned: 4
LOPAC 00673
0.27710843373494
SPE01500904
0.166666666666667
SPE01500840
0
LAT004A10
0
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