Absorption

Distribution

Metabolism

Toxicity

Molecules

HIA

Caco-2

MDCK

PPB

BBB

CYP2C19 Inhibition

CYP2C9

Inhibition

CYP2D6

Inhibition

CYP2D6

Substrat

CYP3A4 Inhibition

CYP3A4

Substrat

hERG Inhibition

Cancérogénicité

Mutagénicité

Mouse

Rat

(AMES-Test)

TH1

80.314

0.954

0.065

100.000

0.059

No

Inhibition

No

No

Inhibition

No

Ambiguous

negative

negative

Mutagen

TH2

78.105

3.942

0.129

83.349

0.110

No

No

No

No

No

Substrate

Weak

negative

negative

Mutagen

TH3

81.331

5.884

0.048

84.334

0.157

No

No

No

No

No

Substrate

Risk

negative

negative

Mutagen

TH4

97.856

19.830

37.217

93.969

0.029

No

No

No

No

No

Weak

Weak

negative

negative

Mutagen

TH5

96.479

24.365

0.237

77.440

0.022

No

No

No

No

No

Substrate

Risk

negative

negative

Mutagen

TH6

92.604

9.640

0.058

61.973

0.017

No

No

No

No

No

Substrate

AVERAGE

negative

Positive

Mutagen

TH7

95.681

22.157

0.251

75.553

0.019

No

No

No

No

No

Substrate

Risk

negative

Positive

Mutagen

TH9

75.262

2.251

1.457

84.178

0.046

No

No

No

No

No

No

AVERAGE

Positive

negative

Mutagen

TH10

27.749

0.391

4.519

82.465

0.027

No

No

No

No

No

No

Risk

negative

negative

Mutagen

TH11

90.746

2.880

0.448

59.640

0.017

No

No

No

No

No

Substrate

Medium Risk

negative

negative

Mutagen

TH12

97.561

57.095

24.302

91.127

0.095

No

No

Yes

Yes

Yes

Weak

Medium Risk

negative

Positive

Mutagen

TH13

95.282

2.441

11.789

89.656

0.023

No

No

No

No

No

No

Medium Risk

negative

negative

Mutagen

TH14

97.866

16.659

53.574

92.374

0.025

No

No

No

No

No

No

Low Risk

negative

negative

Mutagen