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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26F3N5O3
Molecular Weight 501.5008
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BI-671800

SMILES

CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O

InChI

InChIKey=XEOSTBFUCNZKGS-UHFFFAOYSA-N
InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)

HIDE SMILES / InChI

Molecular Formula C25H26F3N5O3
Molecular Weight 501.5008
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Boehringer Ingelheim is developing BI-671800, an orally administered treatment for seasonal allergic rhinitis and asthma. BI-671800 is an antagonist of the PGD2 receptor, CRTH2. PGD2 stimulates bronchoconstriction and allergic airway inflammation in animal models. Inhibition of CRTH2 may reduce airway inflammatory cells, IL -4, -5, -13 production, serum IgE and airway hyper reactivity. Treatment with BI-671800 in poorly controlled asthmatic patients receiving FP was associated with a significant improvement in FEV1. BI-671800 was well tolerated at a total daily dose of 800 mg for 6 weeks.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
4780 ng/mL
200 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens
7600 ng/mL
400 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
19100 ng × h/mL
200 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens
32500 ng × h/mL
400 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
9.05 h
200 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens
15.2 h
400 mg 2 times / day steady-state, oral
BI-671800 plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
Oral BI-671800 ED 200 mg twice daily or 400 mg once daily administered in the morning (AM) or evening (PM), in symptomatic asthma patients
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
721F767LHB
Record Status Validated (UNII)
Record Version