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

Compound InformationSONAR Target prediction
Name:

BUTIROSIN SULFATE

Unique Identifier:SPE01500818
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H45N5O20S2
Molecular Weight:706.378 g/mol
X log p:-4.638  (online calculus)
Lipinksi Failures2
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:17
Rotatable Bond Count:11
Canonical Smiles:NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O.OS(O
)(=O)=O.OS(O)(=O)=O
Source:ex Bacillus circulans
Reference:Tet Letters 1971: 2617, 2621, 2625
Therapeutics:antibiotic

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6773±0.00565685
Normalized OD Score: sc h 0.9894±0.00665818
Z-Score: -0.5713±0.3531
p-Value: 0.579706
Z-Factor: -20.0731
Fitness Defect: 0.5452
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.042124999999999996±0.00077
Plate DMSO Control (-):0.6782250000000001±0.12100
Plate Z-Factor:0.4058
png
ps
pdf

DBLink | Rows returned: 6
39862 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,5R,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]
oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanam
ide; sulfuric acid; dihydrate
425621 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymet
hyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
425988 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymet
hyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
5702149 4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,5R,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]
oxy-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanam
ide; sulfuric acid
6419880 4-amino-N-[(2R,3S)-5-amino-4-[(3S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[(3S,4R,5R)-
3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
12002175 (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-
2-yl]oxy-3-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-bu
tanamide; sulfuric acid

internal high similarity DBLink | Rows returned: 1
SPE01500111 0.9023

active | Cluster 7604 | Additional Members: 12 | Rows returned: 1
Prest190 0.157894736842105

Service provided by the Mike Tyers Laboratory