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

Compound InformationSONAR Target prediction
Name:

METHYLERGONOVINE MALEATE

Unique Identifier:SPE01500404
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:426.273 g/mol
X log p:9.761  (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
Source:semisynthetic
Therapeutics:oxytocic

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: RAD52
Replicates: 2
Raw OD Value: r im 0.5806±0.0304056
Normalized OD Score: sc h 0.9710±0.0170839
Z-Score: -1.2264±0.733344
p-Value: 0.279994
Z-Factor: -3.95683
Fitness Defect: 1.273
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-10-26 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00051
Plate DMSO Control (-):0.602225±0.01910
Plate Z-Factor:0.8905
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
LOPAC 00550 0.9146
SPE01500277 0.9835
LOPAC 01038 1.0000

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

Service provided by the Mike Tyers Laboratory