1. Home
  2. Services
  3. HPC-related Services
  4. ADME Database

Pharmacokinetic information database
ADME Database

Pharmacokinetic information database ADME Database

More than 130,000 pharmacokinetic data easily searchable online. Includes data on human clinical drug interactions.

What is ADME Database?

An online database service that specializes in pharmacokinetic information. It contains more than 130,000 data on metabolizing enzymes (mainly cytochrome P450s) and transporters involved in drug absorption, distribution, metabolism and excretion. It was based on data originally collected by Prof. Dr. Rendic of the University of Zagreb, a renowned scientist in the field of xenobiotic research. It includes not only articles published on the Internet, but also data presented at conferences (ISSX).

News

  • April 2, 2020
    • 「ADME Database V58」was released.
      With this update, we now have a total of 136,260 entries.
  • January 6, 2020
    • 「ADME Database V57」was released.
      With this update, we now have a total of 135,386 entries.
  • October 1, 2019
    • 「ADME Database V56」was released.
      With this update, we now have a total of 134,150 entries.
  • July 1, 2019
    • 「ADME Database V55」was released.
      With this update, we now have a total of 133,417 entries.

Features

Provides human clinical drug interaction data. Comparisons with in vitro inhibition data are also possible.

Provides information on human clinical drug interaction data of drugs related to the company's compounds. Allows comparison to in vitro inhibition studies.

In the early stages of drug discovery, pharmaceutical companies predict drug interactions by measuring the strength of inhibition in vitro, in order to avoid harmful drug interactions that may cause clinical problems for their compounds. However, there have been cases in which drug interactions in human clinical practice have caused serious side effects that were not found problematic in the in vitro studies, and this has become a problem.
ADME Database provides human clinical drug interaction data in addition to the existing in vitro inhibition data. You can display and compare information on both in vitro and human clinical drug interaction data for drugs belonging to the same category or similar in structure to your compounds. You can search by information related to your compound (keywords, drug effect classifications, etc.) or by structural search.

1.Provides human clinical drug interaction data. Comparisons with in vitro inhibition data are also possible.

The service is updated four times a year for the past 10 years, continuously building an enriched and huge database.

2.The service is updated four times a year for the past 10 years, continuously building an enriched and huge database.

Extensive search functions and detailed search results.

3.Extensive search functions and detailed search results.

Data Contents

ADME Database contains information on substrates, inhibitors and inducers of drug-metabolizing enzymes, mainly cytochrome P450s, as well as drug transporters. Metabolic enzymes information also include classification of compounds to be metabolized, their reactions, chemical structures before and after metabolism, and related references (PubMed).

Drug Metabolizing Enzymes

Kinetics Database※3Human Clinical DDI Database※4
  • Esterase
  • UGT（UDP-glucuronosyltransferase）
  • SULT（Sulfotransferase）
  • GST（Glutathione S-transferase）
  • FMO（Flavin-containing monooxygenase）
    ※2etc.
  • ※1：
    Cytochrome P450 (CYP) is a major enzyme involved in drug metabolism and is mainly found in the liver and intestines. Typical examples include CYP3A4 (30-40% present) CYP2C19 (20%) CYP1A2 (10-15%) CYP2D6 (2%).
  • ※2：
    FMO has a wide substrate specificity and catalyzes oxidation reactions such as those of many nitrogen-containing compounds. Drugs metabolized by FMO are known to have fewer drug-drug interactions than CYPs, and compounds that can be metabolized by FMO are expected to have higher potential as drug candidates in the future.
  • ※3：
    Information on kinetic parameters (experimental conditions) of compounds related to drug-metabolizing enzymes.
  • ※4：
    Human clinical drug interactions reported in literature including dosing plans, AUC ratio, half-life ratio and Cmax ratio.

Drug Transporters

  • Drug Transporters Database
Contains information on substrates, inhibitors and inducers of drug transporters.

Search Options

A wide variety of search functions and detailed search results to meet a wide range of applications and user needs.

Search Types

Basic SearchSpecify search keywords to any of the categories below.
  • Category（Inflammatory, Antidepressant, etc.）
  • Subcategory（Cytokine, HIV-protease inhibitor, etc.）
  • Species
  • Compound Name
  • Type（substrate, inhibitor, inducer, etc.）
  • Enzyme Name
  • Transporter Name
  • Reaction type
  • Remarks/Comments
Advanced SearchSupport for searching with more complex criteria.
Free Word SearchComprehensive search is possible without being limited to a single search category.
Structure SearchSimilarity and substructure search for both parent and metabolite structures.

※Optional

View detailed search results

The search result will first display a list of hits, and then you can click on the desired item to see more information.

Displayed itemsTypes of Search Results
Detailed Information
  • Enzyme/Transporter Name
  • Compound Name and Structure
  • Metabolite Name and Structure
  • Link to Kinetic Information
  • Reference
  • Link to PubMed
Kinetic Information
  • in vitro assay/model used
  • Michaelis constant (Km)
  • Maximum metabolic rate (Vmax)
  • Inhibition constant (Ki)
  • Cooperativity（n）
  • Half-life (T_half)
  • Direct links to cited references (PubMed), etc.
DDI Information
  • Enzyme Name
  • Substrate
  • Inhibitor
  • Dosing Plan
  • AUC(-I)（（mg/L）・h）
  • AUC(+I)（（mg/L）・h）
  • AUC ratio
  • Half-life(-I)（h）
  • Half-life(+I)（h）
  • Half-life ratio
  • Cmax(-I)（mg/L）
  • Cmax(+I)（mg/L）
  • Cmax ratio
  • Direct links to cited references (PubMed), etc.

◎ADME Database is compatible with the following web browsers.
Microsoft Internet Explorer 11 and above

Top of Page