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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: 32 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [32]
Species: 4932
Condition: SEC66
Replicates: 2
Raw OD Value: r im 0.5277±0.00601041
Normalized OD Score: sc h 0.9445±0.0124086
Z-Score: -2.0836±0.528933
p-Value: 0.050662
Z-Factor: -0.964974
Fitness Defect: 2.9826
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2007-12-07 YYYY-MM-DD
Plate CH Control (+):0.043525±0.00248
Plate DMSO Control (-):0.530225±0.01345
Plate Z-Factor:0.9011
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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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