NVS-MALT1 |
NVS-MALT1 : Allosteric Inhibitor of MALT1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MALT1 |
|
|
Allosteric
1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
No cross-reactivity among proteases owing to allosteric mechanism. No activities across a panel of 5 ...
Potency Cellular
In Vitro
MALT1
Mode of Action: Allosteric
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/op200301h
In Vivo Validations
Mouse
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
893 nM
Tmax:
2.7 h
Area Under the Curve::
13116
Bioavailability:
95 %
DOI Reference: 10.1021/op200301h
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
6.3 h
Systemic clearance:
6 µL/min/mg
Area Under the Curve::
4611
Volume of Distribution at Steady-State:
3
DOI Reference: 10.1021/op200301h
Rat
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
844
Tmax:
6 h
Area Under the Curve::
14588
Bioavailability:
67 %
DOI Reference: 10.1021/op200301h
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
11.7 h
Systemic clearance:
4
Area Under the Curve::
7253
Volume of Distribution at Steady-State:
3.4
DOI Reference: 10.1021/op200301h
Dog
Dose: 0.3 mg/Kg
Route of delivery:
Oral
Cmax:
120
Tmax:
0.8 h
Area Under the Curve::
1577
Bioavailability:
103 %
DOI Reference: 10.1021/op200301h
Dose: 0.1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
15.6 h
Systemic clearance:
6
Volume of Distribution at Steady-State:
2.9
DOI Reference: 10.1021/op200301h
Negative Control Compounds
NVS-MALT1-C
Notes: Human biochemical (TR-FRET) assay: MALT1 IC50 = 190 nM (high salt); Jurkat IL-2 (IL2-RGA PMA + anti-CD28): IC50 = 1.9 µM
Chemical Information
| Molecular Formula | C24H27ClF3N5O4S |
| SMILEs | CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12 |
| InChI | InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1 |
| Molecular weight | 573.14 Da |
| AlogP | 4.720300000000004 |
| HBond acceptors | 9 |
| HBond donors | 1 |
| Atoms | 65 |