| Compound Information | SONAR Target prediction | | Name: | 3,4-Dihydroxyphenylacetic acid | | Unique Identifier: | LOPAC 00864 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C8H8O4 | | Molecular Weight: | 160.083 g/mol | | X log p: | 5.98 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | OC(=O)Cc1ccc(O)c(O)c1 | | Class: | Dopamine | | Action: | Metabolite | | Generic_name: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | | Chemical_iupac_name: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | | Drug_type: | Experimental | | Drugbank_id: | EXPT01200 | | Drug_category: | Homoprotocatechuate 2,3-Dioxygenase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6902±0.0178898 |
| Normalized OD Score: sc h |
0.9758±0.00215962 |
| Z-Score: |
-0.6616±0.00637334 |
| p-Value: |
0.508262 |
| Z-Factor: |
-152.036 |
| Fitness Defect: |
0.6768 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 6|B5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2005-11-15 YYYY-MM-DD | | Plate CH Control (+): | 0.038525000000000004±0.00122 | | Plate DMSO Control (-): | 0.7283±0.03675 | | Plate Z-Factor: | 0.8247 |
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| DBLink | Rows returned: 2 | |
| 547 |
2-(3,4-dihydroxyphenyl)acetic acid |
| 5460350 |
2-(3,4-dihydroxyphenyl)acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5045 | Additional Members: 7 | Rows returned: 1 | |
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