GD433 |
GD433 : peptide substrate-competitive, Inhibitor of NTMT1, NTMT2
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NTMT1 |
|
|
| NTMT2 |
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Inhibitory activity of GD433 was assessed against five different in-house methyltransferases (G9a, P ...
Selectivity Assessment Description:
At 10 and 30 μM, GD433 displayed no significant inhibition against these six enzymes. Even at 100 μM ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
GD433 was evaluated for its inhibition against a panel of 40 SAM-dependent methyltransferases at a s ...
Selectivity Assessment Description:
GD433 potently inhibited NTMT1 and its close homologue NTMT2, which shares the same X-P-K/R recognit ...
Potency Cellular
In Vitro
NTMT1
Mode of Action: peptide substrate-competitive
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.2c01854
NTMT2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.2c01854
In Vivo Validations
Mouse
Dose: 25 mg/kg
Route of delivery:
Oral
Plasma half life:
2.63 h
Cmax:
81.9 ng/mL
Tmax:
0.25 h
Area Under the Curve::
157 h*ng/mL
DOI Reference: 10.1021/acs.jmedchem.2c01854
Negative Control Compounds
YD2160
Notes: The inactive analogue YD2160 (cpd 26) did not induce any change in either me3-RCC1 or me3-SET up to 30 μM.
Chemical Information
| Molecular Formula | C20H24FN3O3S |
| SMILEs | CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)c(O)c2)n1 |
| InChI | InChI=1S/C20H24FN3O3S/c1-20(2,23-19(26)27-16-10-24-7-5-12(16)6-8-24)17-11-28-18(22-17)13-3-4-14(21)15(25)9-13/h3-4,9,11-12,16,25H,5-8,10H2,1-2H3,(H,23,26)/t16-/m1/s1 |
| Molecular weight | 405.15 Da |
| AlogP | 3.710300000000003 |
| HBond acceptors | 6 |
| HBond donors | 2 |
| Atoms | 52 |