ICI-199441

Agonist of OPRK1

Structure

Information

  • OPRK1
  • Agonist
  • up to 100 nM

In Vitro Validations

Uniprot ID: P41145
Target Class: GPCR
Target SubClass: Opioid receptors
Potency: Ki
Potency Value: 0.04 nM
Potency Assay: [3H]-diprenorphine radioligand inhibitory binding assay [Bioorg. Med. Chem. Lett., (2005) 15:10:2647]. These numbers have been confirmed in multiple publications; additional assays and data are available in CHEMBL.
PDB ID for probe-target interaction (3D structure): --
Structure-activity relationship: Yes, available in multiple publications (e.g., 15863335, 18487043)
Target aliases:
Kappa-type opioid receptor, OPRK, OPRK1, OPRK_HUMA ...

In Cell Validations

In Vivo Data

Off-Target Selectivity Assesments

Potency end-point : Ki OPRD1: 24 nM, OPRM1: 53 nM, UTS2R: 4,000 nM
Potency assay (off target): Measured using [3H]-diprenorphine as radioligand in binding assay (OPRD1, OPRM1) reported in Bioorg. Med. Chem. Lett., (2005) 15:10:2647 and confirmed in subsequent publications. Binding affinity to human urotensin-2 receptor reported in Bioorg. Med. Chem. Lett., (2008) 18:13:3716.
Probe Selectivity in Vitro:

CYP2D6 IC50 = 26 nM

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SERP ratings and comments


SERP Ratings

In Cell Rating
In Model Organisms

SERP Comments:

Opioid agonist signalling is complex and context dependent. This makes probe definitions complicated. This compound is a very potent kappa opioid agonist with opioid receptor subtype selectivity in some contexts. Two extra papers added here demonstrate that at least this compound has been well annotated and compared with other compounds and can thus guide use. One hesitation for calling this a probe is the lack of broad profiling across other targets.

(last updated: 19 May 2020 )

SERP Ratings

In Cell Rating
In Model Organisms

SERP Comments:

Recommended dose for in vivo studies is high when considered in light of the high potency in cell-based assays and the Ki. As a result interpretation of a target specific role in any biological impact of the probe in vivo at this dose should be made with caution and careful consideration of the potential for other targets to contribute to the biological effect.

(last updated: 16 Nov 2020 )

SERP Ratings

In Cell Rating
In Model Organisms

(last updated: 16 Nov 2020 )