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Compound InformationSONAR Target prediction
Name:

Methylergonovine maleate

Unique Identifier:LOPAC 01038
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H29N3O6
Molecular Weight:429.297 g/mol
X log p:8.796  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:Dopamine
Action:Antagonist

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7760±0.0879684
Normalized OD Score: sc h 0.9874±0.0187284
Z-Score: -0.5011±0.525889
p-Value: 0.619654
Z-Factor: -58.6966
Fitness Defect: 0.4786
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.047456250000000026±0.00556
Plate DMSO Control (-):0.76401875±0.03843
Plate Z-Factor:0.8776
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
LOPAC 00550 0.9069
SPE01500277 0.9835
SPE01500404 1.0000

active | Cluster 4543 | Additional Members: 12 | Rows returned: 1
Prest308 0.343283582089552

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