✏️Prompts

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