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

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 11 12 13 14 15 16 17 18 19 20  Next >> [177]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.1335±0.00777817
Normalized OD Score: sc h 0.1747±0.00674512
Z-Score: -27.6021±0.0161009
p-Value: 0
Z-Factor: 0.882829
Fitness Defect: INF
Bioactivity Statement: Toxic
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 (+):0.0875±0.00937
Plate DMSO Control (-):0.9424999999999999±0.02394
Plate Z-Factor:0.9050
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory