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# Aladdin ID Assay Type Description Organism Compounds Reference BAO Format Source 1. ALA4411225 Binding Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay Homo sapiens 27 ALA4406925 cell-based format Scientific Literature 2. ALA4411226 Physicochemical Kinetic solubility of the compound in water 5 ALA4406925 small-molecule physicochemical format Scientific Literature 3. ALA4411227 ADME Stability in rat Hepatocyte assessed per million cells Rattus norvegicus 5 ALA4406925 cell-based format Scientific Literature 4. ALA4411228 ADME Apparent permeability in MDCK-MDR1 cells expressing p-gp Canis lupus familiaris 5 ALA4406925 cell-based format Scientific Literature 5. ALA4411229 ADME Efflux ratio of apparent permeability across apical side over basolateral side to basolateral side over apical side in MDCK-MDR1 cells expressing P-glycoprotein Canis lupus familiaris 5 ALA4406925 cell-based format Scientific Literature 6. ALA4411230 ADME Oral bioavailability in rat at 10 mg/kg Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 7. ALA4411231 ADME Half life in rat at 1 mg/kg, iv Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 8. ALA4411232 ADME Clearance in rat 1 mg/kg, iv or 10 mg/kg, po Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 9. ALA4411233 ADME Fraction unbound in rat plasma by equlibrium dialysis method Rattus norvegicus 5 ALA4406925 cell-free format Scientific Literature 10. ALA4411234 ADME Fraction unbound in rat brain Rattus norvegicus 5 ALA4406925 tissue-based format Scientific Literature 11. ALA4411241 ADME Unbound brain to plasma concentration ratio in rat at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 12. ALA4411242 ADME Ratio of fraction unbound in rat brain to inhibition of human M-COMT expressed in HEK293 cells 5 ALA4406925 cell-based format Scientific Literature 13. ALA4411244 Binding Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as cofactor incubated for 1 hr by MTase Glo methyltransferase assay Homo sapiens 5 ALA4406925 cell-based format Scientific Literature 14. ALA4411246 ADME Drug concentration in rat plasma at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 15. ALA4411247 ADME Drug concentration in rat brain at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 16. ALA4411248 ADME Drug concentration in rat cerebrospinal fluid at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 17. ALA4411249 ADME Ratio of drug level in brain to plasma in rat at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 18. ALA4411250 ADME Fraction unbound in rat plasma at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 19. ALA4411251 ADME Fraction unbound in rat brain at 100 mg/kg, po measured after 4 hrs Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature 20. ALA4411252 Functional In vivo inhibition of COMT in rat assessed as change in HVA level at 100 mg/kg, po measured after 4 hrs by LC-MS analysis relative to control Rattus norvegicus 5 ALA4406925 organism-based format Scientific Literature