Compound Information | SONAR Target prediction | Name: | PHENYLBUTYRIC ACID | Unique Identifier: | SPE00306001 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 152.106 g/mol | X log p: | 9.798 (online calculus) | Lipinksi Failures | 1 | TPSA | 17.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 2 | Rotatable Bond Count: | 4 | Canonical Smiles: | OC(=O)CCCc1ccccc1 | Source: | synthetic | Therapeutics: | antiinflammatory | Generic_name: | GAMMA-PHENYL-BUTYRIC ACID | Chemical_iupac_name: | 4-PHENYL-BUTANOIC ACID | Drug_type: | Experimental | Drugbank_id: | EXPT00947 | Logp: | 2.45 | Drug_category: | Aromatic Amino Acid Aminotransferase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
CLN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6553±0.0671751 |
Normalized OD Score: sc h |
0.7205±0.0439602 |
Z-Score: |
-6.5000±0.91883 |
p-Value: |
0.00000000245376 |
Z-Factor: |
0.0105764 |
Fitness Defect: |
19.8256 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 13|B3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.50 Celcius | Date: | 2007-11-16 YYYY-MM-DD | Plate CH Control (+): | 0.040900000000000006±0.00080 | Plate DMSO Control (-): | 0.658975±0.01344 | Plate Z-Factor: | 0.9313 |
| png ps pdf |
4775 |
4-phenylbutanoic acid |
5258 |
sodium 4-phenylbutanoate |
15585 |
sodium 4-phenylbutanoate |
16046 |
2-methyl-4-phenyl-butanoic acid |
23739 |
3-methyl-4-phenyl-butanoic acid |
316735 |
3,3-dimethyl-4-phenyl-butanoic acid |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 16660 | Additional Members: 7 | Rows returned: 0 | |
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