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Compound InformationSONAR Target prediction
Name:

AZITHROMYCIN

Unique Identifier:SPE01503679
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C38H72N2O12
Molecular Weight:676.413 g/mol
X log p:-2.25  (online calculus)
Lipinksi Failures1
TPSA78.93
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)CN(C)C(C)C(O)C1(C)O
Therapeutics:antibacterial
Generic_name:Azithromycin
Chemical_iupac_name:11-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10-trihydroxy-13-(5
-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-a
zacyclopentadecan-15-one
Drug_type:Approved Drug
Pharmgkb_id:PA448519
Kegg_compound_id:C06838
Drugbank_id:APRD00397
Melting_point:113-115 oC
H2o_solubility:slight
Logp:2.461
Isoelectric_point:8.74
Cas_registry_number:83905-01-5
Drug_category:Anti-bacterial Agents; Other Macrolides; ATC:J01FA10
Indication:For the treatment of patients with mild to moderate infections caused by susceptible
strains of the designated microorganisms in the specific conditions: H. influenzae,
M.catarrhalis, S.pneumoniae, C.pneumoniae, .M.pneumoniae, S.pyogenes, S.aureus,
S.agal
Pharmacology:Azithromycin, a semisynthetic antibiotic belonging to the macrolide subgroup of
azalides, is used to treat STDs due to chlamydia and gonorrhea, community-acquired
pneumonia, pelvic inflammatory disease, pediatric otitis media and pharyngitis, and
Mycobacterium avium complex (MAC) in patients with advanced HIV disease.
Similar in structure to erythromycin. azithromycin reaches higher intracellular
concentrations than erythromycin, increasing its efficacy and duration of action.
Mechanism_of_action:Azithromycin binds to the 50S subunit of the 70S bacterial ribosomes, and therefore
inhibits RNA-dependent protein synthesis in bacterial cells.
Organisms_affected:Enteric bacteria and other eubacteria

Found: 114 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9299±0.0274357
Normalized OD Score: sc h 0.9196±0.0283681
Z-Score: -1.1197±0.53994
p-Value: 0.296916
Z-Factor: -0.893719
Fitness Defect: 1.2143
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:8|C6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.002975±0.00160
Plate DMSO Control (-):0.9953500000000001±0.02525
Plate Z-Factor:0.9140
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DBLink | Rows returned: 9<< Back 1 2
3033819 (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-
2-ethyl-3,4,10-trihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12
,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one dihydrate
3086605 (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-e
thyl-3,4,10-trihydroxy-13-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-he
ptamethyl-1-oxa-6-azacyclopentadecan-15-one
6324605 (2R,3R,4R,5R,8R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-et
hyl-3,4,10-trihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-
heptamethyl-1-oxa-6-azacyclopentadecan-15-one

internal high similarity DBLink | Rows returned: 0

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

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