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: |
BY4743 |
Replicates: |
2 |
Raw OD Value: r im |
0.8149±0.203788 |
Normalized OD Score: sc h |
0.9896±0.0084033 |
Z-Score: |
-0.2810±0.21737 |
p-Value: |
0.781214 |
Z-Factor: |
-7.44307 |
Fitness Defect: |
0.2469 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 6|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-08-19 YYYY-MM-DD | Plate CH Control (+): | 0.046024999999999996±0.00128 | Plate DMSO Control (-): | 0.812075±0.02313 | Plate Z-Factor: | 0.9303 |
| png ps pdf |
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 | |
|