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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 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7433±0.0215668
Normalized OD Score: sc h 0.9749±0.00915774
Z-Score: -0.9552±0.358504
p-Value: 0.354822
Z-Factor: -11.7419
Fitness Defect: 1.0361
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:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.04295±0.00213
Plate DMSO Control (-):0.726725±0.03544
Plate Z-Factor:0.8623
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DBLink | Rows returned: 1
6604151 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-sulfinatooxyethanol

internal high similarity DBLink | Rows returned: 0

active | Cluster 86 | Additional Members: 5 | Rows returned: 1
SPE01500641 0

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