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Compound InformationSONAR Target prediction
Name:

Mycophenolic Acid

Unique Identifier:LAT003C02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17H20O6
Molecular Weight:300.178 g/mol
X log p:2.141  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(O)=O
Generic_name:6-(1,3-DIHYDRO-7-HYDROXY-5-METHOXY-4-MET
Chemical_iupac_name:MYCOPHENOLIC ACID
Drug_type:Experimental
Drugbank_id:EXPT02208
Drug_category:Inosine-5--Monophosphate Dehydrogenase 2 inhibitor
Organisms_affected:-1

Found: 3 active | as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.5315±0.0130108
Normalized OD Score: sc h 0.7926±0.0405185
Z-Score: -8.0046±0.539161
p-Value: 0.0000000000000123857
Z-Factor: 0.117749
Fitness Defect: 32.0222
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:3|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00260
Plate DMSO Control (-):0.652475±0.01329
Plate Z-Factor:0.9465
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DBLink | Rows returned: 101 2 Next >> 
4272 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
446541 (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
671222 (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid
6433817 sodium (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
6444343 disodium (E)-6-(6-methoxy-7-methyl-4-oxido-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate
6918995 (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate

internal high similarity DBLink | Rows returned: 2
Prest817 1.0000
SPE01500674 1.0000

active | Cluster 2762 | Additional Members: 4 | Rows returned: 1
SPE01500674 0

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