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

Compound InformationSONAR Target prediction
Name:

alpha-HYDROXYDEOXYCHOLIC ACID

Unique Identifier:SPE00270049
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:353.262 g/mol
X log p:-0.402  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Class:sterol
Source:pig bile
Reference:J Chem Soc 1990: 1

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.8461±0.0183848
Normalized OD Score: sc h 1.0747±0.0120663
Z-Score: 3.6913±0.54505
p-Value: 0.000496276
Z-Factor: -0.265524
Fitness Defect: 7.6084
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|C11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-03 YYYY-MM-DD
Plate CH Control (+):0.038175±0.00107
Plate DMSO Control (-):0.820775±0.01752
Plate Z-Factor:0.8987
png
ps
pdf

DBLink | Rows returned: 27<< Back 1 2 3 4 5
6710661 4-[(3R,5R,6S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-
1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
7067179 (4R)-4-[(3R,5R,6S,8R,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-
tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
7067180 (4R)-4-[(3R,5R,6S,8R,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-
tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

internal high similarity DBLink | Rows returned: 352 3 4 5 6 Next >> 
JFD 01238 0.9091
SPE01500225 0.9091
SPE01500605 0.9091
SPE01500837 0.9091
SPE01500840 0.9091
NRB 01775 0.9130

active | Cluster 2228 | Additional Members: 18 | Rows returned: 72 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

Service provided by the Mike Tyers Laboratory