Ligritinib |
Ligritinib : Inhibitor of AXL
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| AXL |
|
|
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Ki values for AXL and TAM family members, MERTK and TYRO3 were measured.
Selectivity Assessment Description:
Fold selectivity
MERTK 880,
TYRO3 1400,
DRAK1 47,
HPK1 280,
TRKA 330
In Vitro Selectivity Assessment
Potency Assay Off-Target:
AB801 was broadly selective against the human kinome, with only one kinase (DRAK1) showing a <100-fo ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
qPCR-based competition binding assay
DOI: 10.1021/acs.jmedchem.5c00238
Selectivity Assessment Description:
Kd and fold selectivity:
AXL 0.05 1;
MERTK 3.6 72;
BMPR1B 9.7 194;
DRAK1 1.7 34;
HPK1 23 460;
MA ...
Potency Cellular
In Vitro
AXL
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5c00239
In Vivo Validations
Mouse
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
7.4 h
Systemic clearance:
0.53 L/h/Kg
Volume of Distribution at Steady-State:
4.5 L
DOI Reference: 10.1021/acs.jmedchem.5c00239
Rat
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
4.0 h
Systemic clearance:
0.65 L/h/Kg
Volume of Distribution at Steady-State:
2.4 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c00239
Dog
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
13 h
Systemic clearance:
1.5 L/h/Kg
Volume of Distribution at Steady-State:
28 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c00239
Monkey (Cynomolgus)
Dose: 0.5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
11 h
Systemic clearance:
0.76 L/h/Kg
Volume of Distribution at Steady-State:
10 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c00239
Chemical Information
| Molecular Formula | C33H32N6O |
| SMILEs | Cc1cccnc1-c1ccc(-c2n[nH]c3ncc(-c4ccc5c(c4)CC[C@@H](N4C6COCC4C6)CC5)cc23)nc1 |
| InChI | InChI=1S/C33H32N6O/c1-20-3-2-12-34-31(20)24-8-11-30(35-16-24)32-29-14-25(17-36-33(29)38-37-32)23-5-4-21-6-9-26(10-7-22(21)13-23)39-27-15-28(39)19-40-18-27/h2-5,8,11-14,16-17,26-28H,6-7,9-10,15,18-19H2,1H3,(H,36,37,38)/t26-,27?,28?/m0/s1 |
| Molecular weight | 528.26 Da |
| AlogP | 5.777820000000005 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 72 |