Simcyp® Discovery is a versatile tool designed to enhance decision-making during the pre-IND and translational stages of drug development. By leveraging physiologically-based pharmacokinetic (PBPK) modeling, this software enables researchers to answer critical “what if” questions without the need for costly and time-consuming clinical studies. Derived from the gold-standard Simcyp PBPK Simulator, Simcyp Discovery accelerates small molecule discovery and development, providing confidence in early-stage decision-making.
Simcyp® Discovery
Innovative PBPK software that supports screening, first-in-human dose prediction, early DDI and formulation decisions
Transform your pre-IND process with Simcyp Discovery
Mechanistic first-in-human dose prediction.
Compound triage and pipeline optimization.
Early formulation simulation.
Drug-drug interaction screening.
Translation from preclinical species to human PK.
Allow a better understanding of the PK/PD relationship earlier in development process.
Key features of Simcyp Discovery
Simcyp Discovery includes PBPK models for human, mouse, rat, dog, and monkey. It provides a range of model and simulation tools tailored for discovery and translational scientists.
Variety of models included
- Minimal and full PBPK models.
- One-, two-, and three-compartment models.
- First order (FO) and Advanced Dissolution, Absorption, and Metabolism (ADAM) PBPK models.
- Ability to model rat, mouse, monkey, dog, and human in one modeling environment.
DDI calculator
- Quickly flags early DDI risk for enzymes and transporters based on published regulatory guidance.
- Includes basic (cut-off) models, including competitive inhibition, mechanism-based inhibition, induction, transporter inhibition, and mechanistic static interaction models.
Sensitivity analysis
- Perform different sensitivity analyses using the automated sensitivity analysis tool.
- Utilize sensitivity analysis for formulation development to determine what is needed to improve the formulation, such as increasing solubility using a spray-dried dispersion formulation or reducing particle size via micronisation.
Estimate PK parameters
- Estimation of PK parameters from the in vivo data for the reference formulation (i.e. IV, oral solution, etc.).
Benefits of using Simcyp Discovery
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Experience the power of Simcyp Discovery. Schedule a demo to see how Simcyp Discovery can transform your pre-IND drug development process.
Gain confidence in early-stage decision-making.
Accelerate lead compound identification with high-throughput screening.
Predict first-in-human pharmacokinetics with precision.
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Simcyp Discovery FAQs
What is Simcyp Discovery and how does it help in drug discovery?
Simcyp provides a suite of PBPK modeling software that can be used throughout drug development, including three flagship products: Simcyp Simulator, Simcyp Biopharmaceutics, and Simcyp Discovery. Simcyp Discovery is tailored for small molecule discovery and translation scientists to support confident pre-IND decision-making. Key areas where Simcyp Discovery helps in drug discovery include first-in-human dose prediction, compound triage and pipeline optimization, early drug-drug interaction screening, and early formulation assessment.
What are the main features of Simcyp Discovery?
Key features of Simcyp Discovery include:
- Structure-based predictors to estimate key physicochemical properties directly from chemical structure
- Dose finding tool that supports dose selection to achieve predefined PK or PD targets
- Static DDI tool to quickly flag DDI risk against regulatory guidelines
- Variety of prebuilt models including mouse, rat, dog, and monkey as well as healthy volunteer human population
How does Simcyp Discovery support first-in-human studies?
Simcyp Discovery uses PBPK and IVIVE to predict pharmacokinetics and dosing for first-in-human studies.
Can Simcyp Discovery be used for formulation screening?
Yes, Simcyp Discovery supports early formulation screening to optimize solubility, particle size, and other critical factors.
How does Simcyp compare to other drug discovery tools?
Simcyp offers a continuous PBPK workflow across drug discovery and development. Early investment in PBPK modeling through Simcyp Discovery enables model reusability and scalability across development milestones. Derived from the industry-leading, EMA-qualified Simcyp Simulator, Simcyp Discovery provides peace of mind and supports seamless transition into clinical stages and regulatory submissions.
