U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H23NO5S
Molecular Weight 437.508
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALEGLITAZAR

SMILES

CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C3=CC=CC=C3)C4=C1SC=C4)C(O)=O

InChI

InChIKey=DAYKLWSKQJBGCS-NRFANRHFSA-N
InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H23NO5S
Molecular Weight 437.508
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Aleglitazar is a dual agonist of PPARalpha/PPARgamma which was developed by Hoffmann-La Roche for the treatment of type 2 diabetes. Aleglitazar activates PPAR receptors with EC50 in nanomolar range and exerts a cardioprotective effect in vitro. The drug is currently in phase III of clinical trials.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.0 nM [EC50]
9.0 nM [EC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
1.1 ng/mL
20 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
3.05 ng/mL
50 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
28.9 ng/mL
600 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
5.91 ng/mL
100 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
16.8 ng/mL
300 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
49.2 ng/mL
900 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
8.66 ng × h/mL
20 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
26 ng × h/mL
50 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
204 ng × h/mL
600 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
41.8 ng × h/mL
100 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
141 ng × h/mL
300 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
402 ng × h/mL
900 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
6.04 h
20 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
7.77 h
50 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
13.4 h
600 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
8.2 h
100 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
11.9 h
300 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens
16.4 h
900 μg 1 times / day steady-state, oral
ALEGLITAZAR plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
Patients receive 150 mcg orally daily.
Route of Administration: Oral
In Vitro Use Guide
Aleglitazar increased cell viability and reduced apoptosis in human cardiomyocytes at concentrations of 150-600 nM.
Substance Class Chemical
Record UNII
41T4OAG59U
Record Status Validated (UNII)
Record Version