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Compound InformationSONAR Target prediction
Name:

CHAULMOOGRIC ACID, ETHYL ESTER

Unique Identifier:SPE00310017
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.213 g/mol
X log p:4.413  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:15
Canonical Smiles:CCOC(=O)CCCCCCCCCCCCC1CCC=C1
Source:semisynthetic
Therapeutics:antilepretic

Found: 120 active | as graph: single | with analogs [1] << Back 101 102 103 104 105 106 107 108 109 110  Next >> [120]
Species: 4932
Condition: PFK2
Replicates: 2
Raw OD Value: r im 0.3848±0.00445477
Normalized OD Score: sc h 0.8643±0.0174194
Z-Score: -4.3611±0.604689
p-Value: 0.0000426884
Z-Factor: -0.829742
Fitness Defect: 10.0616
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:23|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-05-10 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00037
Plate DMSO Control (-):0.46262500000000006±0.03006
Plate Z-Factor:0.7601
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DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
556575 ethyl 2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylate
4176524 ethyl 13-(1-cyclopentenyl)tridecanoate
5176736 ethyl octadec-6-enoate
5352859 propan-2-yl (E)-hexadec-9-enoate
5356108 propan-2-yl (E)-octadec-9-enoate
5363269 ethyl (E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 1
SPE00310003 0.9474

active | Cluster 3231 | Additional Members: 3 | Rows returned: 1
SPE00310016 0.3125

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