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BioAssay: AID 540211

Fraction unbound in human after iv administration

We present herein a compilation and trend analysis of human i.v. pharmacokinetic data on 670 drugs representing, to our knowledge, the largest publicly available set of human clinical pharmacokinetic data. This data set provides the drug metabolism scientist with a robust and accurate resource suitable for a number of applications, including in silico modeling, in vitro-in vivo scaling, and more ..
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 Tested Compounds
 Tested Compounds
All(556)
 
 
Active(2)
 
 
Unspecified(554)
 
 
 Tested Substances
 Tested Substances
All(584)
 
 
Active(11)
 
 
Unspecified(573)
 
 
 Related BioAssays
 Related BioAssays
AID: 540211
Data Source: ChEMBL (688904)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2011-09-18
Modify Date: 2014-08-23

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BioActive Compounds: 2
Description:
Title: Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.

Abstract: We present herein a compilation and trend analysis of human i.v. pharmacokinetic data on 670 drugs representing, to our knowledge, the largest publicly available set of human clinical pharmacokinetic data. This data set provides the drug metabolism scientist with a robust and accurate resource suitable for a number of applications, including in silico modeling, in vitro-in vivo scaling, and physiologically based pharmacokinetic approaches. Clearance, volume of distribution at steady state, mean residence time, and terminal phase half-life were obtained or derived from original references exclusively from studies utilizing i.v. administration. Plasma protein binding data were collected from other sources to supplement these pharmacokinetic data. These parameters were analyzed concurrently with a range of simple physicochemical descriptors, and resultant trends and patterns within the data are presented. Our findings with this much expanded data set were consistent with earlier described notions of trends between physicochemical properties and pharmacokinetic behavior. These observations and analyses, along with the large database of human pharmacokinetic data, should enable future efforts aimed toward developing quantitative structure-pharmacokinetic relationships and improving our understanding of the relationship between fundamental chemical characteristics and drug disposition.
(PMID: 18426954)
Comment
Putative Target:
ChEMBL Target ID: 22224
Target Type: ADMET
Pref Name: ADMET
Confidence: Target assigned is non-molecular
Relationship Type: Non-molecular target assigned
Categorized Comment - additional comments and annotations
From BioAssay Depositor:
Assay Type: ADME
Assay Data Source: Scientific Literature
BAO: Assay Format: organism-based format
Result Definitions
TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1fu activity commentfu activity commentString
2fu standard flagfu standard flagInteger
3fu qualifierfu qualifierString
4fu published valuefu published valueFloat
5fu standard valuefu standard valueFloat

Data Table (Concise)
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