Table 5 Display the relative ADMET profiles of synthesized compounds (3a-j, 4a-e and 5a-b) and standard drug (Fluconazole).

From: Synthesis, characterization and bio-evaluation of novel series of pyrazoline derivatives as potential antifungal agents

Comp.

BBBa

Caco2b

HIAc

HOBd

Carcinogens

EIe

AMES

Biodegradable

AOTf

Val

Prob

Val

Prob

Val

Prob

Val

Prob

Val

Prob

Val

Prob

Val

Prob

Val

Prob

Prob

3a

+

0.99

+

0.83

+

1.00

+

0.66

-

0.59

-

0.95

-

0.87

-

0.99

0.74

3b

+

0.99

+

0.68

+

1.00

-

0.57

-

0.87

-

0.94

+

0.52

-

0.98

0.68

3c

+

0.99

+

0.69

+

1.00

+

0.65

-

0.91

-

0.94

-

0.63

-

0.96

0.70

3d

+

0.89

+

0.75

+

1.00

+

0.80

-

0.84

-

0.98

-

0.65

--

0.96

0.81

3e

+

0.91

+

0.70

+

1.00

+

0.86

-

0.80

-

0.98

-

0.82

-

0.96

0.81

3f

+

0.95

+

0.75

+

0.99

+

0.79

-

0.89

-

0.95

+

0.54

-

0.84

0.63

3g

+

0.95

+

0.67

+

1.00

+

0.58

-

0.94

-

0.97

+

0.63

-

0.96

0.58

3h

+

0.98

+

0.57

+

1.00

-

0.68

-

0.90

-

0.96

+

0.79

-

0.96

0.79

3i

+

0.98

+

0.59

+

1.00

-

0.65

-

0.89

-

0.95

-

0.53

-

0.83

0.62

3j

+

0.98

-

0.54

+

1.00

-

0.51

-

0.90

-

0.97

+

0.52

-

0.79

0.63

4a

+

0.68

-

0.56

+

0.99

-

0.68

-

0.73

-

0.97

-

0.61

-

1.00

0.60

4b

+

0.78

-

0.57

+

0.99

-

0.60

-

0.72

-

0.99

-

0.64

-

1.00

0.60

4c

+

0.94

-

0.59

+

1.00

-

0.80

-

0.78

-

0.97

-

0.65

-

1.00

0.74

4d

+

0.94

-

0.61

+

0.99

-

0.76

-

0.77

-

0.97

-

0.72

-

0.99

0.70

4e

+

0.95

-

0.61

+

0.98

-

0.71

-

0.80

-

0.98

-

0.59

-

1.00

0.64

5a

+

0.54

-

0.54

+

0.99

-

0.64

-

0.73

-

0.95

-

060

-

1.00

0.58

5b

+

0.64

-

0.54

+

0.98

-

0.64

-

0.74

-

0.97

-

0.60

-

1.00

0.57

R64

+

0.95

+

0.64

+

1.00

-

0.73

-

0.92

+

0.55

-

0.69

-

0.98

0.63

18 H

+

0.89

+

0.72

+

0.99

-

0.67

-

0.91

-

0.93

+

0.50

-

1.00

0.71

Fluc.*

+

0.93

+

0.88

+

0.98

-

0.87

-

0.72

-

0.82

-

0.54

-

1.00

0.79

  1. aBBB = Blood-Brain Barrier.
  2. bCaco2 = Caco-2 permeability.
  3. cHIA = Human intestinal absorption.
  4. dHOB = Human oral bioavailability.
  5. eEI = Eye irritation.
  6. fAOB = Acute oral bioavailability.
  7. *Fluc. = Fluconazole.