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

Compound InformationSONAR Target prediction
Name:

VINDOLINE

Unique Identifier:SPE01505004
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H32N2O6
Molecular Weight:424.277 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC12C=CCN3CCC4(C(N(C)c5cc(OC)ccc54)C(O)(C1OC(C)=O)C(=O)OC)C32
Class:alkaloid
Source:Vinca rosea, V pusilla
Reference:JACS 54:1058 (1962); Naturwissenschaften 51:637 (1964); 52:132 (1965); Japan J Can
Res 77:197 (1986); J Curr Pharn Des 7:1181 (2001)
Therapeutics:CNS stimulant/depressant; antihyperglycaemic

Found: 104 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [104]
Species: 4932
Condition: UBP6
Replicates: 2
Raw OD Value: r im 0.6392±0.00756604
Normalized OD Score: sc h 1.0033±0.0113738
Z-Score: 0.1158±0.449659
p-Value: 0.75213
Z-Factor: -17.7526
Fitness Defect: 0.2848
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-01-24 YYYY-MM-DD
Plate CH Control (+):0.04235±0.00072
Plate DMSO Control (-):0.604625±0.01442
Plate Z-Factor:0.9350
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15220 | Additional Members: 6 | Rows returned: 0

Service provided by the Mike Tyers Laboratory