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SOS1-IN-1-15 | SOS1-IN-1-15 : PPI Inhibitor of SOS1
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 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
SOS1
  • IC50:8.4 nM
  • IC50:178 ± 42 nM
  • IC50:5 nM
PPI
up to 1 uM

Selectivity

Potency
Cellular
In Vitro

SOS1

Mode of Action: PPI

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.2c01517

In Vivo Validations

Mouse
Dose: 20 mg/Kg
Route of delivery: Oral
Plasma half life: 11.4 h
Cmax: 1550 ng/mL
Tmax: 3.67 h
Area Under the Curve:: 9900 ng*h/mL

DOI Reference: 10.1021/acs.jmedchem.2c01517

Chemical Information

Molecular Formula C28H27F3N6O2
SMILEs Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc3c(cc2n1)OC[C@H]1CN(C(=O)C2(C#N)CC2)CCN31
InChI InChI=1S/C28H27F3N6O2/c1-15(18-4-3-5-19(24(18)29)25(30)31)33-26-20-10-22-23(11-21(20)34-16(2)35-26)39-13-17-12-36(8-9-37(17)22)27(38)28(14-32)6-7-28/h3-5,10-11,15,17,25H,6-9,12-13H2,1-2H3,(H,33,34,35)/t15-,17-/m1/s1
Molecular weight 536.21 Da
AlogP 0.0
HBond acceptors 8
HBond donors 1
Atoms 66

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 2 Feb 2024 )
Cellular Use Rating
In Model Organisms
Close analog with improved potency and invivo properties is described see compound 13c, in ref: J. Med. Chem. 2022, 65, 19, 13158-13171
by SERP
(on 28 Feb 2024 )
Cellular Use Rating
In Model Organisms
The tetra-cyclic quinazoline derivative is a potent and selective inhibitor of the SOS1–KRAS interaction, which has shows a more potent tumour inhibition than the SOS1–KRAS inhibitor BI-3406 currently...
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