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

Compound InformationSONAR Target prediction
Name:

METHYL DEOXYCHOLATE

Unique Identifier:SPE00270051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.265 g/mol
X log p:-0.0670000000000001  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Class:sterol
Source:rabbit bile & feces
Reference:Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963)
Generic_name:METHYL NONANOATE (ESTER)
Chemical_iupac_name:METHYL NONANOATE (ESTER)
Drug_type:Experimental
Drugbank_id:EXPT02376
Drug_category:Neutrophil Gelatinase inhibitor
Organisms_affected:-1

Found: 41 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [41]
Species: 4932
Condition: LAT1
Replicates: 2
Raw OD Value: r im 0.4799±0.032739
Normalized OD Score: sc h 0.7204±0.0440783
Z-Score: -13.7043±1.28993
p-Value: 9.0704e-38
Z-Factor: 0.187003
Fitness Defect: 85.2932
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2008-04-23 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00162
Plate DMSO Control (-):0.6487750000000001±0.02132
Plate Z-Factor:0.8880
png
ps
pdf

DBLink | Rows returned: 709[1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [119]
543588 methyl 10-(2-octylcyclopropyl)decanoate
543603 methyl 10-oxooctadecanoate
543640 methyl 13-oxodocosanoate
543832 methyl 9-(2-butylcyclopentyl)nonanoate
543833 methyl 10-(2-hexylcyclopropyl)decanoate
543948 methyl
4-(3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr
en-17-yl)pentanoate

internal high similarity DBLink | Rows returned: 71 2 Next >> 
RJC 03996 0.9091
SPE01504910 0.9091
SB 01788 0.9677
SPE01500904 0.9677
BTB 15024 1.0000
FM 00119 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 6
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0
Prest88 0

Service provided by the Mike Tyers Laboratory