| 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: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6846±0.0304056 |
| Normalized OD Score: sc h |
0.8006±0.0207978 |
| Z-Score: |
-5.4656±0.398183 |
| p-Value: |
0.000000113083 |
| Z-Factor: |
0.342222 |
| Fitness Defect: |
15.9951 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 13|B3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.50 Celcius | | Date: | 2007-11-23 YYYY-MM-DD | | Plate CH Control (+): | 0.040124999999999994±0.00155 | | Plate DMSO Control (-): | 0.703675±0.01716 | | Plate Z-Factor: | 0.9133 |
|  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 | |
|
