MRTX0902 |
MRTX0902 : PPI of SOS1
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 |
|
|
PPI
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
MRTX0902 was highly selective for SOS1 when compared to SOS2 and showed no inhibition of EGFR. A saf ...
Potency Cellular
In Vitro
SOS1
Mode of Action: PPI
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.2c00741
In Vivo Validations
Mouse
Dose: 3 mg/Kg IV, 30 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
1.3 h
Systemic clearance:
4.4 mL/min/Kg
Bioavailability:
69%
Volume of Distribution at Steady-State:
0.28 L/Kg
DOI Reference: 10.1021/acs.jmedchem.2c00741
Rat
Dose: 1 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.62 h
Systemic clearance:
14.6 mL/min/Kg
Bioavailability:
83%
Volume of Distribution at Steady-State:
0.28 L/Kg
DOI Reference: 10.1021/acs.jmedchem.2c00741
Dog
Dose: 2 mg/Kg IV, 10 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.86 h
Systemic clearance:
7.6 mL/min/Kg
Bioavailability:
38%
Volume of Distribution at Steady-State:
0.48 L/Kg
DOI Reference: 10.1021/acs.jmedchem.2c00741
Chemical Information
| Molecular Formula | C22H24N6O |
| SMILEs | Cc1c(C#N)cccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12 |
| InChI | InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1 |
| Molecular weight | 388.20 Da |
| AlogP | 0.0 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 53 |
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