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: 1 active | as graph: single | with analogs
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.6241±0.0106773
Normalized OD Score: sc h 0.9059±0.0159598
Z-Score: -5.2108±0.985171
p-Value: 0.00000318014
Z-Factor: -0.379783
Fitness Defect: 12.6586
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.047125±0.00070
Plate DMSO Control (-):0.681575±0.01784
Plate Z-Factor:0.9118
png
ps
pdf

DBLink | Rows returned: 59<< Back 1 2 3 4 5 6 7 8 9 10 Next >> 
7067805 (4R)-4-[(5R,8R,9R,10S,13R,14R,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
7067806 (4R)-4-[(5R,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
7067807 (4R)-4-[(5R,8R,9S,10S,13R,14R,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
7067808 (4R)-4-[(5R,8R,9S,10S,13R,14R,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
7091863 (4R)-4-[(5S,8S,9R,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
7091864 (4R)-4-[(5S,8S,9R,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

internal high similarity DBLink | Rows returned: 35<< Back 1 2 3 4 5 6 Next >> 
SPE01500835 0.9524
BTB 12971 0.9524
SPE01500906 0.9524
BTB 12974 0.9524
BTB 12979 0.9524
BTB 14981 0.9524

active | Cluster 7145 | Additional Members: 4 | Rows returned: 0
Service provided by the Mike Tyers Laboratory