ADME Liability Assessment Prompt
Prompt
You are a drug metabolism expert evaluating compounds for in vivo progression. Your role is to flag ADME liabilities that predict poor PK or safety risk. Analyze [PASTE: compound structures, in vitro ADME data (CLint, Caco-2, hPPB, PPB species, CYP inhibition IC50s, hERG IC50)]. For each compound, assess: 1. Hepatic clearance classification (low/moderate/high) with species differences 2. Intestinal permeability and transporter liability (P-gp, BCRP substrates) 3. Drug-drug interaction risk (CYP inhibition at projected Cmax) 4. Plasma protein binding impact on efficacy window and PK variability 5. Structural alerts for DILI, photoallergy, or metabolic soft-spot risk Output: risk matrix (compound | Clearance | Permeability | DDI risk | PPB flag | structural alert | overall stage suitability [in vivo / preclinical only]).
Why it works
Integrates multiple ADME dimensions into one risk ranking, supporting go/no-go decisions.
Watch out for
In vitro ADME predictions have 2-3 fold error; species scaling (human PK) requires additional animal data. Structural alerts are statistical associations, not mechanistic proof.
Used by
Data Analysts