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

Compound InformationSONAR Target prediction
Name:

Metaproterenol sulfate, orciprenaline sulfate

Unique Identifier:Prest845
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H36N2O10S
Molecular Weight:484.309 g/mol
X log p:5.855  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O

Found: 3 nonactive as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1927.0000±0
Normalized OD Score: sc h 0.9462±0
Z-Score: -1.2121±0
p-Value: 0.225492
Z-Factor: -14.0282
Fitness Defect: 1.4895
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|C6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
png
ps
pdf

DBLink | Rows returned: 4
31620 [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium sulfate
441333 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid
441334 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid
657301 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17428 | Additional Members: 9 | Rows returned: 7<< Back 1 2
LOPAC 01240 0

Service provided by the Mike Tyers Laboratory