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

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: 545 nonactive | as graph: single | with analogs [1] << Back 311 312 313 314 315 316 317 318 319 320  Next >> [545]
Species: 4932
Condition: SPE01600652
Replicates: 2
Raw OD Value: r im 0.8078±0.0358503
Normalized OD Score: sc h 0.9321±0.00722316
Z-Score: -2.9731±0.0257984
p-Value: 0.0029531
Z-Factor: -2.158
Fitness Defect: 5.8249
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.00326
Plate DMSO Control (-):0.7345250000000001±0.17904
Plate Z-Factor:0.3089
png
ps
pdf

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

active | Cluster 86 | Additional Members: 5 | Rows returned: 0
Service provided by the Mike Tyers Laboratory