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Inhibition of CYP3A4 assessed as ratio of IC50 at 0 mins to IC50 at 10 mins using 7-benzyloxyquinoline substrate

PubChem AID
468404
Protein Target
Primary Citation
Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs) [PMID: 19846298]
Source
External ID
BioAssay Type
Confirmatory
Tested Substances
Tested Compounds
Version
Status
Live
Dates
  • Deposit:
    2010-09-27
  • Modify:
    2022-08-30
Description
This bioassay record (AID 468404) reports results from the above primary citation. Additional data from the same publication are reported in a total of 18 BioAssay records in PubChem.

1 Description

Title: Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs).

Abstract: A variety of basic, heterocyclic templates has been reported as potassium-competitive, acid pump antagonists. Herein, we report a comparison of potencies of these templates and others to establish which offers the best start point for further systematic optimisation. Modifications were carried out to improve the developability profile of the more potent 1H-pyrrolo[2,3-c]pyridine template, affording molecules with improved overall in vitro characteristics versus the reported clinical candidate AR-H047108, and comparable to the clinically efficacious AZD-0865.

2 Comment

Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: Bioorg Med Chem Lett

Year: 2009

Volume: 19

Issue: 23

First Page: 6813

Last Page: 6817

DOI: 10.1016/j.bmcl.2009.07.002

Target ChEMBL ID: CHEMBL340

ChEMBL Target Name: Cytochrome P450 3A4

ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain

Relationship Type: H - Homologous protein target assigned

Confidence: Homologous single protein target assigned

3 Result Definitions

4 Data Table

5 Target

8 Identity

8.1 BioAssay Name

Inhibition of CYP3A4 assessed as ratio of IC50 at 0 mins to IC50 at 10 mins using 7-benzyloxyquinoline substrate

8.2 Source

8.3 External ID

8.4 Project Category

Literature, Extracted

8.5 BioAssay Type

Confirmatory

8.6 Deposit Date

2010-09-27

8.7 Modify Date

Version 1.1
Version 1.2
Version 1.3
Version 2.1
Version 2.2
Version 2.3
Version 3.1
Version 3.2
Version 3.3
Version 4.1
Version 4.2
Version 5.1
Version 5.2
Version 5.3
Version 5.4
Version 5.5
Version 6.1
Version 6.2
2022-08-30 (currently shown)

8.8 Status

Live

9 Same-Publication BioAssays

10 BioAssay Annotations

Assay Type
ADME

11 Information Sources

  1. PubChem
  2. ChEMBL
    LICENSE
    Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).
    http://www.ebi.ac.uk/Information/termsofuse.html
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