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Compound InformationSONAR Target prediction
Name:

PENTAMIDINE ISETHIONATE

Unique Identifier:SPE01500641
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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.OCCS(O)(=O)=O.OCCS(O)(=O)=O
Source:synthetic; MB-800, RP-2512
Therapeutics:antiprotozoal, inhibits nucleic acid & protein synthesis

Found: 58 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [58]
Species: 4932
Condition: HXK2
Replicates: 2
Raw OD Value: r im 0.6086±0.0098995
Normalized OD Score: sc h 0.8002±0.00991283
Z-Score: -8.8948±0.256107
p-Value: 1.52671e-18
Z-Factor: 0.451682
Fitness Defect: 41.0234
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2008-03-05 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00054
Plate DMSO Control (-):0.7394499999999999±0.01977
Plate Z-Factor:0.9061
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DBLink | Rows returned: 2
8813 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
359323 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 86 | Additional Members: 5 | Rows returned: 4
LOPAC 00389 0
Prest857 0
LAT004G04 0
LAT003H02 0

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