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 31 32 33 34 35 36 37 38 39 40  Next >> [41]
Species: 4932
Condition: SKT5
Replicates: 2
Raw OD Value: r im 0.6138±0.0222032
Normalized OD Score: sc h 0.8996±0.0313487
Z-Score: -4.9970±1.58472
p-Value: 0.0000530068
Z-Factor: -0.457079
Fitness Defect: 9.8451
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-06-17 YYYY-MM-DD
Plate CH Control (+):0.040525000000000005±0.00041
Plate DMSO Control (-):0.6823999999999999±0.01173
Plate Z-Factor:0.9330
png
ps
pdf

DBLink | Rows returned: 709[1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [119]
4064522 n/a
4065233 methyl 11-methyldodecanoate
4068552 methyl 8-[4-(methoxycarbonylmethyl)cyclohexyl]octanoate
4114205 n/a
4130237 methyl
2-(3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr
en-17-yl)propanoate
4171591 methyl
2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren
-17-yl)acetate

internal high similarity DBLink | Rows returned: 72 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