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Compound InformationSONAR Target prediction
Name:

MYCOPHENOLIC ACID

Unique Identifier:SPE01500674
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Class:benzofuran
Source:Penicillium brevicompactum and other Penicillium spp
Therapeutics:antineoplastic
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: 177 active | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4567±0.0178898
Normalized OD Score: sc h 0.6664±0.0278382
Z-Score: -11.1914±0.383511
p-Value: 4.62288e-28
Z-Factor: 0.417349
Fitness Defect: 62.9414
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00119
Plate DMSO Control (-):0.6433249999999999±0.02483
Plate Z-Factor:0.8555
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DBLink | Rows returned: 6
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: 0

active | Cluster 2762 | Additional Members: 4 | Rows returned: 1
LAT003C02 0

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