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

Compound InformationSONAR Target prediction
Name:

ERGONOVINE MALEATE

Unique Identifier:SPE01500277
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:415.271 g/mol
X log p:9.483  (online calculus)
Lipinksi Failures1
TPSA20.31
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:CC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:alkaloid
Source:ergot and Convolvulvaceae spp
Therapeutics:oxytocic, 5HT antagonist

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.6090±0.000777817
Normalized OD Score: sc h 0.9942±0.00157852
Z-Score: -0.2717±0.0662904
p-Value: 0.78607
Z-Factor: -15.0258
Fitness Defect: 0.2407
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.0421±0.00099
Plate DMSO Control (-):0.60395±0.11196
Plate Z-Factor:0.3595
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
LOPAC 01038 0.9835
SPE01500404 0.9835

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

Service provided by the Mike Tyers Laboratory