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

Compound InformationSONAR Target prediction
Name:

Pentamidine isethionate

Unique Identifier:LOPAC 00389
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H34N4O10S2
Molecular Weight:556.399 g/mol
X log p:15.108  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:10
Canonical Smiles:NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCCOS(=O)=O.OCCOS(=O)=O
Class:Glutamate
Action:Antagonist
Selectivity:NMDA

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.5878±0.0190919
Normalized OD Score: sc h 0.9436±0.00395366
Z-Score: -1.6966±0.0853596
p-Value: 0.0903566
Z-Factor: -17.9014
Fitness Defect: 2.404
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045875±0.00087
Plate DMSO Control (-):0.6643749999999999±0.09786
Plate Z-Factor:0.7360
png
ps
pdf

DBLink | Rows returned: 1
6604151 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-sulfinatooxyethanol

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 86 | Additional Members: 5 | Rows returned: 4
SPE01500641 0
Prest857 0
LAT004G04 0
LAT003H02 0

Service provided by the Mike Tyers Laboratory