ISM5939 |
ISM5939 : Inhibitor of ENPP1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ENPP1 |
|
|
Inhibitor
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Specificity of ISM5939 for ENPP1: inhibitory effects on ENPP2 and ENPP3 were assessed enzymatically ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Broader selectivity of ISM5939 was assessed on the ICESTP™ SafetyOne44 panel, which encompasses a co ...
Potency Cellular
In Vitro
ENPP1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1038/s41467-025-59874-0
In Vivo Validations
Mouse
Dose: 1 mg/kg IV, 5 mg/kg PO
Route of delivery:
Intravenous, Oral
Systemic clearance:
14 mL/min/kg IV
Bioavailability:
32%
Volume of Distribution at Steady-State:
0.53 L/Kg
DOI Reference: 10.1038/s41467-025-59874-0
Rat
Dose: 1 mg/kg IV, 5 mg/kg PO
Route of delivery:
Intravenous, Oral
Systemic clearance:
14 mL/min/kg IV
Bioavailability:
49%
Volume of Distribution at Steady-State:
1.1 L/Kg IV
DOI Reference: 10.1038/s41467-025-59874-0
Monkey (Cynomolgus)
Dose: 1 mg/kg IV, 5 mg/kg PO
Route of delivery:
Intravenous, Oral
Systemic clearance:
2.0 mL/min/kg IV
Bioavailability:
45%
Volume of Distribution at Steady-State:
0.63 L/Kg IV
DOI Reference: 10.1038/s41467-025-59874-0
Chemical Information
| Molecular Formula | C20H18FN5O3S |
| SMILEs | COc1ncc2nc(C)n(Cc3ncc(S(N)(=O)=O)cc3F)c2c1-c1ccccc1 |
| InChI | InChI=1S/C20H18FN5O3S/c1-12-25-16-10-24-20(29-2)18(13-6-4-3-5-7-13)19(16)26(12)11-17-15(21)8-14(9-23-17)30(22,27)28/h3-10H,11H2,1-2H3,(H2,22,27,28) |
| Molecular weight | 427.11 Da |
| AlogP | 2.6451200000000012 |
| HBond acceptors | 8 |
| HBond donors | 2 |
| Atoms | 48 |