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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 2 3 4 5 6 7 8 9 10  Next >> [177]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.1515±0.000848528
Normalized OD Score: sc h 0.5459±0.000221964
Z-Score: -4.7913±0.0803901
p-Value: 0.00000172176
Z-Factor: 0.498463
Fitness Defect: 13.2722
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|E3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09300000000000001±0.00526
Plate DMSO Control (-):0.94575±0.01308
Plate Z-Factor:0.9370
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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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