BAY-091

BAY-091 : Inhibitor of PIP4K2A

Structure

SERP Rating

In Cells

(1 ratings)

In Model Organisms

(0 ratings)

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Probe BAY-091 is in the process of SERP review.

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Information

PIP4K2A

Inhibitor

100 nM

Additional Data

SGC image SGC Chemical Probe Collection

Probe Availability:

In Vitro Validations

Uniprot ID: P48426

Target Class: Kinase

Target SubClass: --

Potency: IC50

Potency Value: 1.3 nM

Potency Assay: ADP-Glo 10 uM ATP (low ATP)

PDB ID for probe-target interaction (3D structure): 6YM5

Target aliases:

Phosphatidylinositol 5-phosphate 4-kinase type-2 a ...

DOI Reference: 10.1021/acs.jmedchem.1c01245

Uniprot ID: P48426

Target Class: Kinase

Target SubClass: --

Potency: IC50

Potency Value: 2.6 nM

Potency Assay: ADP-Glo 250 uM ATP (high ATP)

PDB ID for probe-target interaction (3D structure): 6YM5

Target aliases:

Phosphatidylinositol 5-phosphate 4-kinase type-2 a ...

DOI Reference: 10.1021/acs.jmedchem.1c01245

Uniprot ID: P48426

Target Class: Kinase

Target SubClass: --

Potency: IC50

Potency Value: 8.5 nM

Potency Assay: Quantification of produced PI(4,5)P2 (Homogeneous Time Resolved Fluorescence (HTRF)) at 10 µM ATP

PDB ID for probe-target interaction (3D structure): --

Target aliases:

Phosphatidylinositol 5-phosphate 4-kinase type-2 a ...

DOI Reference: 10.1021/acs.jmedchem.1c01245

Uniprot ID: P48426

Target Class: Kinase

Target SubClass: --

Potency: IC50

Potency Value: 16.4 nM

Potency Assay: Quantification of produced PI(4,5)P2 (Homogeneous Time Resolved Fluorescence (HTRF)) at 2 mM ATP

PDB ID for probe-target interaction (3D structure): --

Target aliases:

Phosphatidylinositol 5-phosphate 4-kinase type-2 a ...

DOI Reference: 10.1021/acs.jmedchem.1c01245

In Cell Validations

In Vivo Data

No in Vivo Validations

Off-Target Selectivity Assesments

Potency assay (off target): Eurofins-PanLab assays: enzymatic, radioligand binding, kinase panel.

Probe Selectivity in Vitro:

Closest off-targets [% inhibition] are TBXAS1 (98%), MAOB (81%), PDE3 (74%) and PDE5A (62%) (enzymatic assay) and HTR2B with 98 % inhibition (radioligand binding assay). Clean panel: All targets show an inhibition < 60%. Closest off-targets are FLT1 (56.81% inhibition) and KDR (50.07% inhibition) (Kinase Panel)

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SERP ratings and comments

SERP+ Ratings

In Cell Rating

SERP+ Comments:

In Vitro potency was beetwen 1 and 16 nM, orthogonal assay were performed. Potency in cells was 1.1 microM. It was highly selective over 373 kinases. Enantiomer is also available as a negative control. Taget engagement assay and X-ray crystallography were performed. The compound seems non-cytotoxic due to lack of antiproliferative or ROS inducing effects. The selectivity was assessed at 1 uM concentration, which is the same as the potency on the main target.

(last updated: 23 May 2024 )