BAY-6672

Protein target name:

PTGFR

Mechanism of action:

Antagonist

Recommended Concentration for use in cells:

up to 500 nM

Probe Information

Target and Probe Information

Target Details

Target class:

GPCR

Subclass:

Prostaglandin F Receptor

HUGO ID:

HGNC:9600

Entrez gene ID:

5737

UNIPROT ID:

P43088

Target alias:

FP

Probe Details

Chemical Probes Portal ID:

CPP2247

Probe alias:

cpd 46

PubChem CID:

146368333

SMILES string:

Cc1c(C(NC[C@H](CCC(O)=O)c2ccccc2[Cl])=O)c2cc(ccc2nc1N1CCCC1)[Br]

InChi Key:

YQOLEILXOBUDMU-KRWDZBQOSA-N

Control compound:

BAY-403

Physico-chemical properties

NMR:

1H NMR (400 MHz, [D6]DMSO): δ = 12.04 (br s, 1H), 8.68 (t, J = 5.6 Hz, 1H), 7.59–7.53 (m, 1H), 7.53–7.40 (m, 4H), 7.37 (t, J = 7.3 Hz, 1H), 7.27 (t, J = 7.1 Hz, 1H), 3.79–3.48 (m, 7H), 2.21–2.00 (m, 6H), 1.92–1.77 ppm (m, 5H);

13C NMR (126 MHz, [D6]DMSO): δ = 173.8, 166.5, 158.0, 143.9, 143.2, 139.3, 133.8, 131.3, 129.3, 128.5, 128.2, 128.1, 127.4, 126.1, 121.6, 118.7, 114.2, 49.7, 42.7, 40.1, 31.0, 28.4, 25.1, 17.2 ppm;

Validation in Cells and Model Organisms

In vitro validation

On target activity

Potency:

IC50, Ki

22 nM, 16 nM (Ki)

Potency assay:

Panlabs binding assay

Structure-activity relationship:

yes

Off target activity

Probe Selectivity in Vitro:

> 420-fold selectivity vs prostanoids EP1–EP4, IP, DP, CRTH2 based on binding assays (Panlabs)
Outside Target Family:
In a lead profiling screen comprising a broad range of more than 80 targets, including GPCRs, ion channels, nuclear hormone receptors, and other proteins and enzymes, no significant findings were noted at concentrations of 10 μM (Panlabs).

In cell validation

On target activity in cells

Potency in cells:

IC50

11 nM (C), 12 nM/18 nM (F), 52 nM (T)

Potency assay (cells):

hFP-R cell-based assay (C). functional cell-based assays, cytokine production (KC / MCP-1) in 3T3 fibroblasts (F), functional tissue contraction assay, rat (T)

Off target activity in cells

Probe Selectivity in Cell:

hTP-R cell-based assay at Panlabs shows 200 fold selectivity in Cell-Based assay.

Toxicity

Cytoxicity assay:

Yes

Notes on cytotoxicity:

Not Cytotoxic

In vivo validation

Organism:

Mouse, Rat, Dog

Dose:

3-30 mg/Kg

Route of delivery:

Oral

Plasma half life:

3.4 (M), 3.8 (R), 14 (D) h

Fraction of probe bound to plasma protein:

1.1 (M), 0.7 (R), 0.8 (D) L/h/Kg

Primary Reference

Reference (doi):

10.1021/acs.jmedchem.0c00834

Reference (PMID):

32969660

External Resources

Available data:

SGC Donated Chemical Probes

BAY-6672

Probe Information

Target Details

FP

Probe Details

Physico-chemical properties

In vitro validation

In cell validation

Toxicity

In vivo validation

Primary Reference

External Resources

Supporting Organizations

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BAY-6672

Probe Information

Target Details

FP

Probe Details

Physico-chemical properties

In vitro validation

In cell validation

Toxicity

In vivo validation

Primary Reference

External Resources

Supporting Organizations

Interested in supporting the portal?