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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 << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 19105.0000±0
Normalized OD Score: sc h 1.0362±0
Z-Score: 1.0070±0
p-Value: 0.31396
Z-Factor: -3.96423
Fitness Defect: 1.1585
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 (+):18614.5±2372.77494
Plate DMSO Control (-):18453±1651.99066
Plate Z-Factor:-21.7740
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DBLink | Rows returned: 36<< Back 1 2 3 4 5 6 Next >> 
154401 (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,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hex
amethyl-1-oxacyclotetradecane-2,10-dione
158056 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-(hydroxymethyl)-5,7,9,11,13-pentamethyl-1-oxacyclotetradecane-2,10-dione
441095 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-6-[(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-hexamethyl-1
-oxacyclotetradecane-2,10-dione
450049 (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; technetium
456593 (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-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-oxacyclotetrade
cane-2,10-dione
467795 (3R,4S,5S,6R,7R,9R,11R,12R,13R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-tri
hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane
-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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