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

Compound InformationSONAR Target prediction
Name:

Methysergide maleate

Unique Identifier:LOPAC 00550
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H31N3O6
Molecular Weight:441.308 g/mol
X log p:9.677  (online calculus)
Lipinksi Failures1
TPSA23.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CCC(CO)NC(=O)C1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34.OC(=O)C=CC(O)=O
Class:Serotonin
Action:Antagonist

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SAP30
Replicates: 2
Raw OD Value: r im 0.8127±0.0168999
Normalized OD Score: sc h 0.9936±0.000513039
Z-Score: -0.5533±0.00877234
p-Value: 0.580062
Z-Factor: -3.75104
Fitness Defect: 0.5446
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2005-11-18 YYYY-MM-DD
Plate CH Control (+):0.0388±0.11468
Plate DMSO Control (-):0.793825±0.01414
Plate Z-Factor:-0.1254
png
ps
pdf

DBLink | Rows returned: 3
108224
5281073
6915830

internal high similarity DBLink | Rows returned: 2
LOPAC 01038 0.9069
SPE01500404 0.9146

nonactive | Cluster 4543 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00289 0.368421052631579
Prest525 0.368421052631579
LOPAC 01021 0.368421052631579
LAT004G02 0.368421052631579
Prest308 0.343283582089552
SPE01500277 0.166666666666667

Service provided by the Mike Tyers Laboratory