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Compound InformationSONAR Target prediction
Name:

Erythromycin

Unique Identifier:Prest205
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C37H67NO13
Molecular Weight:666.395 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: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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2185.0000±0
Normalized OD Score: sc h 1.0605±0
Z-Score: 1.3646±0
p-Value: 0.172368
Z-Factor: -4.28835
Fitness Defect: 1.7581
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|H2
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 36<< Back 1 2 3 4 5 6 Next >> 
5462331 n/a
5483654 n/a
6364614 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-7,
12,13-trihydroxy-4-[(2S,5S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-ox
acyclotetradecane-2,10-dione
6426641 (3R,4S,5S,6R,9R,11R,12R,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)o
xy-6-(3-hydroxy-6-methyl-4-methylamino-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10
-dione
6426643 (3R,4S,5S,6R,9R,11R,12R,14R)-4-(4,5-dihydroxy-4,6-dimethyl-oxan-2-yl)oxy-6-(4-dimethylamino-3-hydroxy-6-
methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dio
ne
6426644 (3R,4S,5S,6R,9R,11R,12R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihyd
roxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3-(hydroxymethyl)-5,7,9,11,13-pentamethyl-1-oxacy
clotetradecane-2,10-dione

internal high similarity DBLink | Rows returned: 0

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

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