Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

SODIUM DEHYDROCHOLATE

Unique Identifier:SPE01500225
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:392.251 g/mol
X log p:-1.652  (online calculus)
Lipinksi Failures0
TPSA91.34
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:[Na+].[O-]C(=O)CCC(C)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
Source:semisynthetic
Therapeutics:choleretic

Found: 204 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [204]
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.6614±0.0105359
Normalized OD Score: sc h 1.0151±0.00423753
Z-Score: 0.7137±0.220932
p-Value: 0.48079
Z-Factor: -7.01932
Fitness Defect: 0.7323
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00051
Plate DMSO Control (-):0.65265±0.01901
Plate Z-Factor:0.9047
png
ps
pdf

DBLink | Rows returned: 592 3 4 5 6 7 8 9 10 Next >> 
2974 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p
entanoate
2975 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p
entanoic acid
6674 (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydro
cyclopenta[a]phenanthren-17-yl]pentanoic acid
8957 sodium
4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)p
entanoate
94192 (4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H
-cyclopenta[a]phenanthren-17-yl]pentanoic acid
111335 (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydro
cyclopenta[a]phenanthren-17-yl]pentanoate; magnesium(+2) cation

internal high similarity DBLink | Rows returned: 352 3 4 5 6 Next >> 
LOPAC 01140 0.9048
SPE01500840 0.9091
SPE01500837 0.9091
SPE01500605 0.9091
SPE00270049 0.9091
BTB 09776 0.9130

active | Cluster 7145 | Additional Members: 4 | Rows returned: 0

Service provided by the Mike Tyers Laboratory