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Compound InformationSONAR Target prediction
Name:

MEPARTRICIN

Unique Identifier:SPE01503432
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C60H88N2O19
Molecular Weight:1052.64 g/mol
X log p:31.481  (online calculus)
Lipinksi Failures3
TPSA114.43
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:21
Rotatable Bond Count:12
Canonical Smiles:CNc1ccc(cc1)C(=O)CC(O)CCC(C)C1OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC2
(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC1C)O2)C(=O)OC
Source:ex Streptomyces aureofaciens
Therapeutics:antifungal, antiprotozoal

Found: 99 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [99]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.0673±0.00876812
Normalized OD Score: sc h 0.0963±0.0128583
Z-Score: -49.1034±1.43889
p-Value: 0
Z-Factor: 0.866124
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 5
3009009 33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hyd
roxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatria
conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
3009010 methyl
33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hyd
roxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatria
conta-19,21,23,25,27,29,31-heptaene-36-carboxylate
6479652 (19E,21E,23E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,
9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3
9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
6479653 methyl
(19E,21E,23E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,
9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3
9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
11981152 methyl
(19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-17-[7-(4
-aminophenyl)-5-hydroxy-7-oxo-heptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-diox
abicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate; methyl
(19E,21E,23E,25E,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-1,3,5,7,
9,13,37-heptahydroxy-17-[5-hydroxy-7-(4-methylaminophenyl)-7-oxo-heptan-2-yl]-18-methyl-11,15-dioxo-16,3
9-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

internal high similarity DBLink | Rows returned: 0

active | Cluster 7118 | Additional Members: 11 | Rows returned: 5
SPE01505560 0.392857142857143
SPE01500446 0.229357798165138
LAT005H11 0.229357798165138
SPE01500122 0
LAT006F08 0

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