MILVEXIAN |
Inhibitor of F11
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| F11 |
|
Inhibitor
1 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Milvexian was evaluated against a panel of relevant serine proteases.
Selectivity Assessment Description:
Ki values for evaluated serine proteases: factor XIa 0.11, factor VIIab 1200, factor IXa >27 000, fa ...
Potency Cellular
In Vitro
F11
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c00613
In Vivo Validations
Rat
Dose: 0.52 (IV), 1.04 (PO) mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
1.4 h
Systemic clearance:
7.1 mL/min/kg
Area Under the Curve::
700 nM/h
Fb :
97.1 %
Bioavailability:
18 %
Volume of Distribution at Steady-State:
0.9 L/kg
DOI Reference: 10.1021/acs.jmedchem.1c00613
Monkey (Cynomolgus)
Dose: 0.50 (IV), 1.50 (PO) mg/Kg
Route of delivery:
Intravenous, Oral
Plasma half life:
2.7 h
Systemic clearance:
10.3 mL/min/kg
Area Under the Curve::
1215 nM/h
Fb :
89.1 %
Bioavailability:
32 %
Volume of Distribution at Steady-State:
2.2 L/kg
DOI Reference: 10.1021/acs.jmedchem.1c00613
Rabbit
Dose:
Route of delivery:
bolus injection
Target engagement assay:
EC50 375 nM in Rabbit ECAT model
DOI Reference: 10.1021/acs.jmedchem.1c00613
Chemical Information
| Molecular Formula | C28H23Cl2F2N9O2 |
| SMILEs | C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O |
| InChI | InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 |
| Molecular weight | 625.13 Da |
| AlogP | 5.7993 |
| HBond acceptors | 11 |
| HBond donors | 1 |
| Atoms | 66 |
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