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

Compound InformationSONAR Target prediction
Name:

GAMBOGINIC ACID, METHYL ESTER

Unique Identifier:SPE00200031
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C39ClH47O8
Molecular Weight:631.865 g/mol
X log p:3.614  (online calculus)
Lipinksi Failures0
TPSA88.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6C7CC(C)(CCC7=C(C)C)Oc6c
(CCC(C)(C)Cl)c5OC341)C2=O
Source:derivative
Reference:Tetrahedron 21: 1453 (1965)

Found: 100 nonactive | as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [100]
Species: 4932
Condition: PPH21
Replicates: 2
Raw OD Value: r im 0.7411±0.00360624
Normalized OD Score: sc h 0.9756±0.00236798
Z-Score: -0.8762±0.0968875
p-Value: 0.382052
Z-Factor: -5.32122
Fitness Defect: 0.9622
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2006-05-16 YYYY-MM-DD
Plate CH Control (+):0.038225±0.00193
Plate DMSO Control (-):0.772425±0.02659
Plate Z-Factor:0.8599
png
ps
pdf

DBLink | Rows returned: 1
4659860

internal high similarity DBLink | Rows returned: 0

active | Cluster 6558 | Additional Members: 3 | Rows returned: 2
SPE00300549 0.192307692307692
SPE10100009 0

Service provided by the Mike Tyers Laboratory