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Compound InformationSONAR Target prediction
Name:

R(-)-Isoproterenol (+)-bitartrate

Unique Identifier:LOPAC 00113
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H23NO9
Molecular Weight:339.17 g/mol
X log p:6.006  (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)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O
Class:Adrenoceptor
Action:Agonist
Selectivity:beta

Found: 2 active | as graph: single | with analogs 2 Next >> 
Species: 4932
Condition: GAS1
Replicates: 2
Raw OD Value: r im 0.6985±0.0119501
Normalized OD Score: sc h 1.1005±0.00917445
Z-Score: 4.8194±0.436704
p-Value: 0.00000337846
Z-Factor: -0.0814779
Fitness Defect: 12.5981
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:8|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.042300000000000004±0.00209
Plate DMSO Control (-):0.668275±0.01567
Plate Z-Factor:0.9552
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DBLink | Rows returned: 5
26792 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
160420 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
2724018 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
6604115 (2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
6852409 2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol

internal high similarity DBLink | Rows returned: 3
LOPAC 00114 0.9459
SPE01500274 0.9481
LOPAC 00115 1.0000

nonactive | Cluster 1040 | Additional Members: 10 | Rows returned: 92 Next >> 
LOPAC 00895 0.314285714285714
SPE01500274 0.314285714285714
LOPAC 00114 0.314285714285714
LOPAC 00984 0
LOPAC 00121 0
LOPAC 00115 0

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