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

Compound InformationSONAR Target prediction
Name:

NISOLDIPINE

Unique Identifier:SPE01505390
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H24N2O6
Molecular Weight:364.224 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[O-][N+](=O)c1ccccc1C1C(=C(C)NC(C)=C1C(=O)OCC(C)C)C(=O)OC
Source:synthetic; bayk-5552
Therapeutics:vasodilator (coronary)

Found: 11 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.5294±0.00855599
Normalized OD Score: sc h 0.9402±0.0111241
Z-Score: -2.2212±0.265157
p-Value: 0.0289966
Z-Factor: -3.24947
Fitness Defect: 3.5406
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00113
Plate DMSO Control (-):0.561825±0.04287
Plate Z-Factor:0.7647
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 5071 | Additional Members: 12 | Rows returned: 3
SPE01500431 0
LOPAC 00213 0
Prest357 0

Service provided by the Mike Tyers Laboratory