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

Compound InformationSONAR Target prediction
Name:

N,N-DIMETHYLAMILORIDE

Unique Identifier:SPE01503999
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8Cl2H13N7O
Molecular Weight:281.038 g/mol
X log p:-1.523  (online calculus)
Lipinksi Failures0
TPSA45.03
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:Cl.CN(C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
Reference:J Pharmacol Exp Therap 256: 1094 (1991)
Therapeutics:inhibitor of Na+/H+ antiport

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6917±0.00763675
Normalized OD Score: sc h 1.0043±0.00615548
Z-Score: 0.2366±0.337971
p-Value: 0.816238
Z-Factor: -7.75558
Fitness Defect: 0.203
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04225±0.00040
Plate DMSO Control (-):0.67065±0.19760
Plate Z-Factor:-0.0494
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
LOPAC 00165 0.9016
SPE01500112 0.9016

nonactive | Cluster 4060 | Additional Members: 8 | Rows returned: 71 2 Next >> 
SPE01504215 0.462962962962963
LAT002H09 0.462962962962963
LOPAC 00857 0.454545454545455
LOPAC 00229 0.408163265306122
SPE01500112 0
Prest15 0

Service provided by the Mike Tyers Laboratory