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

Compound InformationSONAR Target prediction
Name:

ROXITHROMYCIN

Unique Identifier:SPE01503276
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:760.443 g/mol
X log p:-1.64  (online calculus)
Lipinksi Failures2
TPSA115.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:13
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(=NOCOCCOC)C(C)C(O)C1(C)O
Source:semisynthetic; RU-28965, RU-965
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7394±0.00268701
Normalized OD Score: sc h 1.0071±0.00147513
Z-Score: 0.3771±0.0703147
p-Value: 0.706466
Z-Factor: -6.69419
Fitness Defect: 0.3475
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00073
Plate DMSO Control (-):0.7159±0.01647
Plate Z-Factor:0.9139
png
ps
pdf

DBLink | Rows returned: 10<< Back 1 2
5837004 (10Z)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-met
hoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetr
adecan-2-one
6426702 (3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-[(2S,4R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-e
thyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimin
o)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
6604440 (3R,4R,5S,6S,7R,9S,10E,11S,12S,13R,14S)-6-[(2S,3S,4R,6S)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]ox
y-14-ethyl-7,12,13-trihydroxy-4-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-meth
oxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
6915744 (3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]ox
y-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-10-(2-meth
oxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

internal high similarity DBLink | Rows returned: 0

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

Service provided by the Mike Tyers Laboratory