Chemical Probes logo
MRTX1133 | MRTX1133 : Inhibitor of KRAS G12D
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
KRAS (Mutant:G12D)
  • Kd:~0.0002 nM
  • IC50:5 nM
  • IC50:2 nM
  • IC50:6 nM
Inhibitor
up to 100 nM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
pERK Activity of MRTX1133 was tested against a panel of KRASG12D Cell lines showing similar potencie ...

Potency
Cellular
In Vitro

KRAS (Mutant:G12D)

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.1c01688

In Vivo Validations

Mouse
Dose: 30 mgKg
Route of delivery: Intraperitoneal

DOI Reference: 10.1021/acs.jmedchem.1c01688

Chemical Information

Molecular Formula C33H31F3N6O2
SMILEs C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChI InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1
Molecular weight 600.25 Da
AlogP 0.0
HBond acceptors 8
HBond donors 2
Atoms 75

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 8 Apr 2024 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 3 May 2024 )
Cellular Use Rating
In Model Organisms
The MRTX1133 compound has been refined to have very high affinity for the G12D-specific mutant of KRAS (not other mutations of the protein). The compound is effective in preventing KRAS-dependent phosphorylation...
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