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

Compound InformationSONAR Target prediction
Name:

ERYTHROMYCIN ESTOLATE

Unique Identifier:SPE01501176
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:958.618 g/mol
X log p:-2.205  (online calculus)
Lipinksi Failures1
TPSA119.06
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:10
Canonical Smiles:CCCCCCCCCCCCOS(O)(=O)=O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(O
C2OC(C)CC(C2OC(=O)CC)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
Source:Streptomyces erythreus
Therapeutics:antibacterial

Found: 136 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [136]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.4378±0.0306884
Normalized OD Score: sc h 0.8377±0.0442399
Z-Score: -5.4062±1.59504
p-Value: 0.00000941434
Z-Factor: -0.753524
Fitness Defect: 11.5733
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.60 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00232
Plate DMSO Control (-):0.559025±0.02847
Plate Z-Factor:0.8703
png
ps
pdf

DBLink | Rows returned: 3
19037 [4-dimethylamino-2-[[(3R,4S,6R,7R,9R,11R,12R,13R,14R)-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-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-ox
an-3-yl] propanoate; 1-sulfooxydodecane
429694 [4-dimethylamino-2-[[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-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate;
1-sulfooxydodecane
441371 [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2
S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacycl
otetradec-6-yl]oxy]-6-methyl-oxan-3-yl] propanoate; 1-sulfooxydodecane

internal high similarity DBLink | Rows returned: 0

active | Cluster 14145 | Additional Members: 11 | Rows returned: 0
Service provided by the Mike Tyers Laboratory