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Compound InformationSONAR Target prediction
Name:

ERYTHROMYCIN STEARATE

Unique Identifier:SPE01500281
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H107NO15
Molecular Weight:938.608 g/mol
X log p:-2.678  (online calculus)
Lipinksi Failures1
TPSA92.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:7
Canonical Smiles:CCCCCCCCCCCCCCCCCCCC(O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C
(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Source:ex Streptomyces erythreus
Therapeutics:antibacterial

Found: 101 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [101]
Species: 4932
Condition: HTZ1
Replicates: 2
Raw OD Value: r im 0.2276±0.147927
Normalized OD Score: sc h 0.8448±0.15502
Z-Score: -0.5195±0.281716
p-Value: 0.610546
Z-Factor: -5.985
Fitness Defect: 0.4934
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-26 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00113
Plate DMSO Control (-):0.24215000000000003±0.06527
Plate Z-Factor:-0.6469
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DBLink | Rows returned: 361 2 3 4 5 6 Next >> 
3255 6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4
,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
8233 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2R,3S,4R,6S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione
9361 (3R,4S,6R,7R,9R,11R,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-tr
ihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan
e-2,10-dione
12559 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione; octadecanoic acid
12560 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14
-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-
hexamethyl-1-oxacyclotetradecane-2,10-dione
83933 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-6-[(2S,3R,
4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexame
thyl-1-oxacyclotetradecane-2,10-dione

internal high similarity DBLink | Rows returned: 1
SPE01504231 0.9604

active | Cluster 14145 | Additional Members: 11 | Rows returned: 1
SPE01501176 0.195652173913043

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