LAROTRECTINIB |
LAROTRECTINIB : Inhibitor of NTRK1, NTRK2, NTRK3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
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| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NTRK1 |
|
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| NTRK2 |
|
|
| NTRK3 |
|
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Inhibitor
up to 250 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Within target family:
Broad radiometric protein screen to determine the selectivity of a Trk inhibit ...
Potency Cellular
In Vitro
NTRK1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1186/1744-8069-6-87
NTRK2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1186/1744-8069-6-87
NTRK3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1186/1744-8069-6-87
In Vivo Validations
Mouse
Dose: 30 mg/Kg BID
Route of delivery:
Oral
Target engagement assay:
>90% TrkA inhibition at 1 hr and >70% inhibition at 12 h after oral administration
DOI Reference: 10.1186/1744-8069-6-87
Chemical Information
| Molecular Formula | C21H22F2N6O2 |
| SMILEs | O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 |
| InChI | InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1 |
| Molecular weight | 428.18 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 2 |
| Atoms | 53 |
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