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

Compound InformationSONAR Target prediction
Name:

Doxycycline Hydrochloride

Unique Identifier:LAT003B10
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH25N2O8
Molecular Weight:457.713 g/mol
X log p:5.087  (online calculus)
Lipinksi Failures1
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c2c(O)cccc12

Found: 5 nonactive as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7607±0.030547
Normalized OD Score: sc h 0.9751±0.0283784
Z-Score: -0.5777±0.666177
p-Value: 0.604684
Z-Factor: -4.38174
Fitness Defect: 0.503
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:3|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.04±0.00167
Plate DMSO Control (-):0.80105±0.01681
Plate Z-Factor:0.9253
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 3
LOPAC 00868 1.0000
Prest1072 1.0000
SPE01500266 1.0000

active | Cluster 2358 | Additional Members: 14 | Rows returned: 5
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0
SPE01500266 0

Service provided by the Mike Tyers Laboratory