BAY-876

Protein target name:

SLC2A1

Mechanism of action:

Inhibitor

Recommended Concentration for use in cells:

up to 100 nM

Probe Availability

MedChemExpress

TOCRIS

Selleck Chemicals

Probe Information

Target and Probe Information

Target Details

Target class:

Other

Define other target class:

Solute Carrier Protein

Subclass:

SLC Family

HUGO ID:

HGNC:11005

Entrez gene ID:

6513

UNIPROT ID:

P11166

Target alias:

CSE, DYT17, DYT18, DYT9, EIG12, GLUT, GLUT-1, GLUT1, GLUT1DS, HTLVR, PED, SDCHCN

Probe Details

Chemical Probes Portal ID:

CPP2328

Probe alias:

cpd 19

PubChem CID:

118191391

ChEMBL ID:

CHEMBL4448899

SMILES string:

Cc1c(c(C(F)(F)F)nn1Cc1ccc(C#N)cc1)NC(c1cc(C(N)=O)nc2cc(ccc12)F)=O

InChi Key:

BKLJDIJJOOQUFG-UHFFFAOYSA-N

Control compound:

BAY-588

Physico-chemical properties

NMR:

1H NMR (300 MHz, [D6]DMSO) δ=2.27 (s, 3H), 5.61 (s, 2 H), 7.38 (d, J=8.3 Hz, 2 H), 7.74-7.84 (m, 1H), 7.86 - 7.95 (m, 3H), 7.97 (br s, 1H), 8.24 - 8.33 (m, 2H), 8.40 (br s, 1H), 10.48 ppm (s, 1H);

13C NMR (101 MHz, [D6]DMSO) δ=9.3 (s, CH3), 53.1 (s, CH2), 111.0 (s, C), 113.3 (d, JC-F= 20.3 Hz, CH), 114.8 (s, C), 116.4 (s, CH), 118.6 (s, C), 119.7 (d, JC-F= 25.7 Hz, CH), 121.4 (q, JC-F= 269.1 Hz, C), 122.4(s, C), 128.1 (d, JC-F= 10.3 Hz, CH), 128.2 (s, 2CH), 132.9 (s, 2CH), 136.2 (q, JC-F= 35.6 Hz, C), 138.7 (s, C), 141.7 (s, C), 142.6 (s, C), 147.9 (d, JC-F= 13.0 Hz, C), 151.4 (s, C), 163.0 (d, JC-F= 250.4 Hz, C), 165.5 (s, C), 166.1 ppm (s, C);

Validation in Cells and Model Organisms

In vitro validation

On target activity

Structure-activity relationship:

yes

In cell validation

On target activity in cells

Potency in cells:

IC50

3.2 nM

Potency assay (cells):

Glucose uptake assay

Off target activity in cells

Probe Selectivity in Cell:

Closest targets is SLC2A4 which is >100x less selective (IC50 = 270 nM); IC50 SLC2A2 = 9.4 µM; IC50 SLC2A3 = 1.6 µM

Outside target family: ADORA3 (IC50 = 1.14 µM); PTGER4 (IC50 = 1.12 µM) (Eurofins panel #68, others > 5 µM); clean for 18 tested kinases (all > 20 µM) ; Clean GPCR scan with the closest hit on HTR2 (pKi = 5.1)

In vivo validation

Organism:

Rat, Dog

Dose:

1.5, 3, 4.5 mg/kg

Route of delivery:

OralIntravenous

Plasma half life:

2.5 (R), 22 (D) h

Systemic clearance:

0.23 (R), 0.033 (D) L/h/Kg

Fraction of probe bound to plasma protein:

85 (R), 79 (D) %

Cmax:

0.33 (R), 0.93 (D) Kg/L

Vss:

0.79 (R), 1.0 (D) L/Kg

Primary Reference

Reference (doi):

10.1002/cmdc.201600276

Reference (PMID):

27552707

External Resources

Available data:

SGC Chemical Probes

BAY-876

Probe Availability

Probe Information

Target Details

CSE, DYT17, DYT18, DYT9, EIG12, GLUT, GLUT-1, GLUT1, GLUT1DS, HTLVR, PED, SDCHCN

Probe Details

Physico-chemical properties

In vitro validation

In cell validation

In vivo validation

Primary Reference

External Resources

Supporting Organizations

Interested in supporting the portal?

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BAY-876

Probe Availability

Probe Information

Target Details

CSE, DYT17, DYT18, DYT9, EIG12, GLUT, GLUT-1, GLUT1, GLUT1DS, HTLVR, PED, SDCHCN

Probe Details

Physico-chemical properties

In vitro validation

In cell validation

In vivo validation

Primary Reference

External Resources

Supporting Organizations

Interested in supporting the portal?