CRT0273750 |
CRT0273750 : Inhibitor of ENPP2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ENPP2 |
|
|
Inhibitor
up to 5 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
IOA-289 was tested in fibrosis screening panels of human primary cells in vitro. Tested at 6 uM, IOA ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In vitro safety pharmacology studies showed that IOA-289 has no to minimal potential off-target inte ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
In the GLP hERG assay, IOA-289 inhibited the hERG tail current with an IC50 of 1.03 μM. Based on the ...
Potency Cellular
In Vitro
ENPP2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2016.10.036
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
1.0 h
Systemic clearance:
41 mL/min/Kg
Volume of Distribution at Steady-State:
1.3 L/Kg
DOI Reference: 10.1016/j.bmcl.2016.10.036
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
1.4 h
Cmax:
3.8 uM
Area Under the Curve::
3.2 uM*h
Bioavailability:
41%
DOI Reference: 10.1016/j.bmcl.2016.10.036
Rat
Dose: 1 mg/Kg followed after 2 days of washout by a single oral dose of 3 mg/Kg
Route of delivery:
Intravenous
Systemic clearance:
19 mL/min/Kg
Fb :
0.02
DOI Reference: 10.1016/j.bmcl.2016.10.036
Chemical Information
| Molecular Formula | C25H22ClF3N4O2 |
| InChI | InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1 |
| Molecular weight | 502.14 Da |
| AlogP | 0.0 |
| HBond acceptors | 6 |
| HBond donors | 1 |
| Atoms | 57 |