Discovery of an Orally Active and Long-Acting DPP-IV Inhibitor through Property-Based Optimization with an in Silico Biotransformation Prediction Tool

Subject headings

NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)

Keyword

biostability

DPP-IV

in silico testing

inhibitors

metabolism

2 [[2 (3 aminopiperidin 1 yl) 4 oxo 6 (1h pyrazol 4 yl)thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 4 oxo 6 (pyridin 3 yl)thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 4 oxo 6 (pyridin 4 yl)thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 4 oxo 6 [3 (trifluoromethyl)phenyl]thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 4 oxo 7 (pyridin 3 yl)thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 (2 methoxypyridin 4 yl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 (2 methylpyridin 4 yl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 (3 fluorophenyl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 (3

5 dimethylisoxazol 4 yl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 (4 fluorophenyl) 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 bromo 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 6 [3 (methylsulfonyl)phenyl] 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 7 bromo 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 7 fluoro 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 7 methyl 4 oxo 6 (pyridin 3 yl)thieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

2 [[2 (3 aminopiperidin 1 yl) 7 methyl 4 oxothieno[3

2 d]pyrimidin 3(4h) yl]methyl] 4 fluorobenzonitrile

antidiabetic agent

cytochrome P450

dipeptidyl peptidase IV inhibitor

long acting drug

pyrimidine derivative

trelagliptin

unclassified drug

xanthine derivative

animal experiment

area under the curve

Article

computer model

controlled study

drug bioavailability

drug design

drug efficacy

drug half life

drug potency

drug transformation

glycemic control

IC50

in vitro study

in vivo study

infant

male

maximum plasma concentration

mean residence time

metabolic stability

nonhuman

priority journal

rat

time to maximum plasma concentration

Publication and Content Type

ref (subject category)

art (subject category)