TH9619 |
TH9619 : Inhibitor of MTHFD1, MTHFD2, MTHFD2L
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MTHFD1 |
|
|
| MTHFD2 |
|
|
| MTHFD2L |
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
DSF-based selectivity screen of TH9619 12 µM against a curated library of 44 kinases, using staurosp ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
no stabilization of mitochondrial MTHFD2 using CETSA on purified subcellular fractions of mitochondr ...
Potency Cellular
In Vitro
MTHFD1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1038/s42255-023-00771-5
MTHFD2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1038/s43018-022-00331-y
MTHFD2L
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1038/s43018-022-00331-y
In Vivo Validations
Mouse
Dose: 10 mg/Kg
Route of delivery:
Subcutaneous
Plasma half life:
1.68 h
Cmax:
26.2 uM
Tmax:
0.25 h
Area Under the Curve::
11.2 uM*h
DOI Reference: 10.1038/s43018-022-00331-y
Chemical Information
| Molecular Formula | C17H18FN7O7 |
| SMILEs | Nc1nc(=O)c(CC(=O)Nc2cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c2)c(N)[nH]1 |
| InChI | InChI=1S/C17H18FN7O7/c18-8-3-6(22-10(26)4-7-13(19)24-17(20)25-14(7)29)5-21-12(8)15(30)23-9(16(31)32)1-2-11(27)28/h3,5,9H,1-2,4H2,(H,22,26)(H,23,30)(H,27,28)(H,31,32)(H5,19,20,24,25,29)/t9-/m0/s1 |
| Molecular weight | 451.13 Da |
| AlogP | 0.0 |
| HBond acceptors | 14 |
| HBond donors | 9 |
| Atoms | 50 |