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IACS-52825 | IACS-52825 : Inhibitor of MAP3K12
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
MAP3K12
  • Kd:1.3 nM
  • IC50:107 ± 22 nM
Inhibitor
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
CEREP PanLabs (10 μM) 0/80 Kinase screening (DiscoverX KINOMEscan, <35% control at 1 μM) 7/403

Potency
Cellular
In Vitro

MAP3K12

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.3c00788

In Vivo Validations

Mouse
Dose: 0.3/10 mpk IV/PO
Route of delivery: Intravenous, Oral
Plasma half life: 13 h
Systemic clearance: 4.3 mL/min/kg
Cmax: 6.4 uM
Area Under the Curve:: 111 h*uM
Bioavailability: > 100%
Volume of Distribution at Steady-State: 4.5 L/Kg

DOI Reference: 10.1021/acs.jmedchem.3c00788

Rat
Dose: 1/3 mpk IV/PO
Route of delivery: Intravenous, Oral
Plasma half life: 12 h
Systemic clearance: 6.5 mL/min/kg
Cmax: 1.3 uM
Area Under the Curve:: 16.8 h*uM
Bioavailability: 95%
Volume of Distribution at Steady-State: 5.6 L/Kg

DOI Reference: 10.1021/acs.jmedchem.3c00788

Dog
Dose: 0.3/1 mpk IV/PO
Route of delivery: Intravenous, Oral
Plasma half life: 8.5 h
Systemic clearance: 56 mL/min/kg
Cmax: 1.2 uM
Area Under the Curve:: 15.3 h*uM
Bioavailability: > 100%
Volume of Distribution at Steady-State: 3.5 L/Kg

DOI Reference: 10.1021/acs.jmedchem.3c00788

Monkey (Cynomolgus)
Dose: 0.3/1 mpk IV/PO
Route of delivery: Intravenous, Oral
Plasma half life: 7.2 h
Systemic clearance: 9.3 mL/min/kg
Cmax: 0.35 uM
Area Under the Curve:: 4.7 h*uM
Bioavailability: > 100%
Volume of Distribution at Steady-State: 5.3 L/Kg

DOI Reference: 10.1021/acs.jmedchem.3c00788

Chemical Information

Molecular Formula C16H13F7N4O2
SMILEs Nc1ncc(-c2cn(C34CC(F)(C3)C4)c([C@@H](O)C(F)(F)F)n2)cc1OC(F)(F)F
InChI InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13?,14?/m1/s1
Molecular weight 426.09 Da
AlogP 0.0
HBond acceptors 6
HBond donors 3
Atoms 42

References

Publications

Cross References

canSARBindingDBPDB

Vendors

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Expert Reviews

by SERP
(on 2 Nov 2023 )
Cellular Use Rating
In Model Organisms
This is a potent, highly optimized probe with good in vivo pharmacokinetic properties. A small number of off-target kinases are also inhibited at relevant concentrations, and this activity should be considered...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria