PK/DB (a freely available database for pharmacokinetic properties) was designed with the aim of creating robust databases for pharmacokinetic studies and in silico ADME (Absorption, Distribution, Metabolism, and Excretion) prediction. The database contains high quality data for structurally diverse compounds associated with known ADME properties, including human oral bioavailability, human intestinal absorption, plasma protein binding, blood-brain barrier, among others.PK/DB was created under the direction of Prof. Dr. Adriano D. Andricopulo at the "Laboratório de Química Medicinal e Computacional - Centro de Biotecnologia Molecular Estrutural - Instituto de Física de São Carlos" - University of Sao Paulo, Brazil.
Comprehensive, web based and easy to access database, PK/DB manages 1389 compounds incorporating structurally diverse drug-like and lead-like molecules which represent 4141 pharmacokinetic measurements, including five validated models for in silico ADME prediction. The PK/DB suite is designed to be utilized by all researchers in the drug discovery field, and will be continuously updated and upgraded as new information becomes available.
| Pharmacokinetic Property | Compounds |
|---|---|
| Human Intestinal Absorption (%HIA) | 687 |
| Human Oral Bioavailability (%F) | 660 |
| Plasma Protein Binding (%PPB) | 726 |
| Blood Brain Barrier (logBB) | 200 |
| Volume of Distribution (Vd (L/kg)) | 738 |
| Renal Clearance (%Cl) | 360 |
| Half Life (T1/2(h)) | 770 |
| Known CYP for Metabolism | 295 |
To cite PK/DB, please reference: Moda, T. L.; Torres, L. G.; Carrara, A. E.; Andricopulo, A. D. Bioinformatics 2008, 24, 2270