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ADME PK

In Vitro In Vivo Extrapolation using Cloe PK

Multispecies pharmacokinetic simulation from in vitro ADME and phys-chem data

  • Predict pharmacokinetics from the integration of ADME and physicochemical data.
  • Interprets ADME data and prioritizes compounds for in vivo studies or candidate selection.
  • Save time and cost by reducing unnecessary in vivo PK studies.
A tool for integrating in vitro ADME data to predict plasma and organ pharmacokinetics

 

How to use Cloe PK

Cloe PK data requirements

Data requirements for intravenous dosing
  • LogP (octanol/water) and pKa
  • Microsomal intrinsic clearance
  • Fraction unbound in plasma
  • Blood to plasma ratio (optional)
Data requirements for oral dosing
  • LogP (octanol/water) and pKa
  • Microsomal intrinsic clearance
  • Fraction unbound in plasma
  • Blood to plasma ratio (optional)
  • Aqueous solubility
  • Caco-2 permeability
 

Cloe PK data delivery

Predictions are delivered automatically in a downloadable pdf report and Excel spreadsheet with interactive sensitivity analysis capability.

The following parameters are reported:
• Concentration time profiles in venous and arterial plasma.
• Concentration time profiles in 14 organs and tissues.
• Summary pharmacokinetic parameters

Using Cloe PK

Additional Features
  • 3 species, human PK prediction, rat PK prediction and mouse PK prediction, now available.
  • Interactive sensitivity analysis to investigate impact of altering one or more compound properties on the predicted PK parameters.
  • Send your data to Cyprotex, and let us run predictions on your behalf.
  • Provision of full consultancy service for interpretation of any predictions generated.

Data

Data from Cloe PK

Cloe PK integrates ADME data derived from experimental assays or QSAR predictive models using PBPK modeling techniques. The input data are limited to ADME and physicochemical properties that are typically generated in early drug discovery programs.

Prediction accuracy and compound ranking closely correlates with human clinical data and animal experiments.

 
Human steady state volume of distribution derived from Cloe PK
Figure 1
Human steady state volume of distribution derived from Cloe PK (y-axis) are compared with clinical data (x-axis).
Rat half-life derived from Cloe PK
Figure 2
Rat half life derived from Cloe PK (y-axis) are compared with preclinical data (x-axis).

For a set of known drugs, the human steady state volume of distribution is predicted within an average of 1.9 fold of the measured values with a rank correlation of 0.83 and the rat half-life is predicted within an average of 1.6 fold of the measured values with a rank correlation coefficient of 0.88. For a set of 75 discovery compounds, the rat clearance is predicted within an average of 2.0 fold of the measured values (standard well stirred model = 4.3).
Predicted human plasma concentrations for clozapine, intravenously closed
Figure 3
Comparison of Cloe PK predicted plasma concentration profiles with actual measurements from a human in vivo study for clozapine (intravenously administered).
Predicted rat plasma concentrations for antipyrine, orally dosed
Figure 4
Comparison of Cloe PK predicted plasma concentration profiles with actual measurements from a rat in vivo study for chlorpheniramine (orally administered).
Gaining Access to Cloe PK

Cyprotex can run Cloe PK predictions on your behalf. You can either send us your data or we can generate data for you via our in vitro ADME and phys-chem services. Assistance in interpreting the data is included in this service.

Contact enquiries@cyprotex.com for more information.

Cloe® is a registered trade mark owned by Cyprotex PLC

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Product sheet ADME-Tox Guides Pricing & Discounts

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Telephone:
North America (East Coast): 888-297-7683
Europe: +44 1625 505100

 

or fill out the form below:

Please give details of the assays you are interested in. Where appropriate please specify one or more species (human, rat, mouse etc.), isoforms (CYP1A1,CYP1B1, etc) or other relevant details.

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