Table 4 PK parameters of compounds 1 and 3 and Fedratinib

From: Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery

Parametera

Compound 1

Compound 3

Fedratinib

Route

iv (5 mg/kg)

po (5 mg/kg)

iv (5 mg/kg)

po (5 mg/kg)

iv (5 mg/kg)

po (5 mg/kg)

T1/2 (h)

5.35

4.47

0.52

10.07

0.3

4.70

Tmax (h)

4.00

6.00

0.083

4.00

0.083

1.00

Cmax (ng/mL)

76.57

10.35

351.23

6.64

275.23

6.81

AUCinf (h*ng/mL)

752.47

106.00

443.20

114.69

226.74

50.19

Tlast (h)

7.63

7.99

4.63

15.94

2.09

7.45

F (%)

 

14.1

 

9.4

 

11.7

  1. aT1/2 elimination half-life, Tmax time of the maximum observed plasma concentration, Cmax maximum observed plasma concentration, AUCinf area under the plasma concentration–time curve from time zero to infinity, Tlast time of last measurable concentration, F bioavailability.
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