Chemical Content

Therapeutically relevant knowledge available in the Knowledge Base includes:

  • Interaction with target proteins, regulation of target protein activity, phosphorylation, and expression
  • Impact on non-target proteins and on molecular, cellular and disease processes
  • Participation in signaling and metabolic pathways
  • Toxicity and therapeutic information
  • Compound regulation of P450 enzyme expression and activity
  • Bioavailability, plasma binding, LD50, IC50, PK/PD, AUC, and metabolism
  • Mutagenicity data
  • CAS number
  • Synonyms (including systematic name and brand names)
  • Chemical formula and SMILES notation
  • Drug and chemical information such as drug manufacturer, clinical trial sponsor, and link to NCT website for drugs and candidates in all phases, including Phase 0 and Phase IV studies (early human and postmarket/alternative indications/long-term safety assessment)