TDI-11055 |
TDI-11055 : Inhibitor of MLLT1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MLLT1 |
|
|
Inhibitor
up to 1 uM
Selectivity
Potency Cellular
In Vitro
MLLT1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acsmedchemlett.4c00016
In Vivo Validations
Rat
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
1.54 h
Systemic clearance:
108 mL/min/kg
Area Under the Curve::
314 h*ng/mL
Volume of Distribution at Steady-State:
7.3 L/Kg
DOI Reference: 10.1021/acsmedchemlett.4c00016
Dose: 10 mg/Kg
Route of delivery:
Oral
Bioavailability:
31%
DOI Reference: 10.1021/acsmedchemlett.4c00016
Chemical Information
| Molecular Formula | C22H24N6O |
| SMILEs | C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1 |
| InChI | InChI=1S/C22H24N6O/c1-14-4-3-7-28(14)13-18-9-16-11-23-21(10-19(16)25-18)26-22(29)15-5-6-20-17(8-15)12-24-27(20)2/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26,29)/t14-/m0/s1 |
| Molecular weight | 388.20 Da |
| AlogP | 3.686200000000002 |
| HBond acceptors | 7 |
| HBond donors | 2 |
| Atoms | 53 |