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

Compound InformationSONAR Target prediction
Name:

Trimethylcolchicinic acid

Unique Identifier:Prest353
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H21NO5
Molecular Weight:322.207 g/mol
X log p:9.147  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1cc2CCC(N)C3=CC(=O)C(O)=CC=C3c2c(OC)c1OC

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1231.0000±0
Normalized OD Score: sc h 0.6066±0
Z-Score: -8.8673±0
p-Value: 7.49682e-19
Z-Factor: -1.75938
Fitness Defect: 41.7346
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:8|B11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):953±868.44324
Plate DMSO Control (-):1906.5±525.50956
Plate Z-Factor:-4.3660
png
ps
pdf

DBLink | Rows returned: 5
18999
453131
688593
6921817
6921818

internal high similarity DBLink | Rows returned: 0

active | Cluster 2172 | Additional Members: 11 | Rows returned: 2
Prest875 0.386363636363636
SPE01800067 0.217391304347826

Service provided by the Mike Tyers Laboratory